[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C134H148Cl5F2N37OS5 — CID 165066873

IUPAC[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CF)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CF)nc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CN(C)C)nc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/2C28H33ClN8S.2C26H27ClFN7S.C26H28ClN7OS/c1-17-23(38-21-8-11-32-25(31)22(21)29)26-34-19(15-35(2)3)16-37(26)27(33-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-17-23(38-21-8-11-32-25(31)22(21)29)26-33-15-19(16-35(2)3)37(26)27(34-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-15-21(36-19-6-9-31-23(30)20(19)27)24-33-17(13-28)14-35(24)25(32-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-31-23(30)20(19)27)24-32-14-17(13-28)35(24)25(33-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-30-23(29)20(19)27)24-31-13-17(14-35)34(24)25(32-15)33-10-7-26(8-11-33)12-16-4-2-3-5-18(16)22(26)28/h4-8,11,16,24H,9-10,12-15,30H2,1-3H3,(H2,31,32);4-8,11,15,24H,9-10,12-14,16,30H2,1-3H3,(H2,31,32);2*2-6,9,14,22H,7-8,10-13,29H2,1H3,(H2,30,31);2-6,9,13,22,35H,7-8,10-12,14,28H2,1H3,(H2,29,30)/t2*24-;3*22-/m11111/s1
InChIKeySCNARMHVOZDIDW-FCGXVAKRSA-N
MW2668.51 g/mol
LogP23.87
Rot. Bonds22

About [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 165066873) has the molecular formula C134H148Cl5F2N37OS5 and a molecular weight of 2668.51 g/mol. Its IUPAC name is [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID165066873
Molecular FormulaC134H148Cl5F2N37OS5
Molecular Weight2668.51 g/mol
Exact Mass2663.97
IUPAC Name[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CF)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CF)nc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CN(C)C)nc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/2C28H33ClN8S.2C26H27ClFN7S.C26H28ClN7OS/c1-17-23(38-21-8-11-32-25(31)22(21)29)26-34-19(15-35(2)3)16-37(26)27(33-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-17-23(38-21-8-11-32-25(31)22(21)29)26-33-15-19(16-35(2)3)37(26)27(34-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-15-21(36-19-6-9-31-23(30)20(19)27)24-33-17(13-28)14-35(24)25(32-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-31-23(30)20(19)27)24-32-14-17(13-28)35(24)25(33-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-30-23(29)20(19)27)24-31-13-17(14-35)34(24)25(32-15)33-10-7-26(8-11-33)12-16-4-2-3-5-18(16)22(26)28/h4-8,11,16,24H,9-10,12-15,30H2,1-3H3,(H2,31,32);4-8,11,15,24H,9-10,12-14,16,30H2,1-3H3,(H2,31,32);2*2-6,9,14,22H,7-8,10-13,29H2,1H3,(H2,30,31);2-6,9,13,22,35H,7-8,10-12,14,28H2,1H3,(H2,29,30)/t2*24-;3*22-/m11111/s1
InChIKeySCNARMHVOZDIDW-FCGXVAKRSA-N
XLogP23.87
TPSA518.51 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds22
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.51
LogP ≤ 523.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Launch Full Analysis

Related Compounds

[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-7-yl]methanol
CID 147261923
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(cyclopropylmethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165084723
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-bromopyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 163936991
(1S)-1'-[8-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165063040
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 162352729
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2,2,2-trifluoroethanol
CID 154662904
CID 174094851
CID 174094851
(1S)-1'-(8-iodo-7-methylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 174291820
(1S)-1'-[5-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-3-prop-1-ynylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172500499
1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1,6-diamine
CID 167048193

Frequently Asked Questions

What is the IUPAC name of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 165066873) is [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CF)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CF)nc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CN(C)C)nc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is SCNARMHVOZDIDW-FCGXVAKRSA-N. The full InChI is InChI=1S/2C28H33ClN8S.2C26H27ClFN7S.C26H28ClN7OS/c1-17-23(38-21-8-11-32-25(31)22(21)29)26-34-19(15-35(2)3)16-37(26)27(33-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-17-23(38-21-8-11-32-25(31)22(21)29)26-33-15-19(16-35(2)3)37(26)27(34-17)36-12-9-28(10-13-36)14-18-6-4-5-7-20(18)24(28)30;1-15-21(36-19-6-9-31-23(30)20(19)27)24-33-17(13-28)14-35(24)25(32-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-31-23(30)20(19)27)24-32-14-17(13-28)35(24)25(33-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29;1-15-21(36-19-6-9-30-23(29)20(19)27)24-31-13-17(14-35)34(24)25(32-15)33-10-7-26(8-11-33)12-16-4-2-3-5-18(16)22(26)28/h4-8,11,16,24H,9-10,12-15,30H2,1-3H3,(H2,31,32);4-8,11,15,24H,9-10,12-14,16,30H2,1-3H3,(H2,31,32);2*2-6,9,14,22H,7-8,10-13,29H2,1H3,(H2,30,31);2-6,9,13,22,35H,7-8,10-12,14,28H2,1H3,(H2,29,30)/t2*24-;3*22-/m11111/s1.
What are the key properties of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 2668.51 g/mol, XLogP of 23.87, 22 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 165066873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).