(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

C25H23Cl2N5O — CID 156704430

IUPAC(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H23Cl2N5O/c1-15-20(17-6-4-7-18(26)21(17)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-8-19(16)33-25/h2-8,11,14,22H,9-10,12-13,28H2,1H3/t22-/m1/s1
InChIKeyMLSCOYJHJITMNI-JOCHJYFZSA-N
MW480.40 g/mol
LogP5.44
Rot. Bonds2

About (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 156704430) has the molecular formula C25H23Cl2N5O and a molecular weight of 480.40 g/mol. Its IUPAC name is (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
PubChem CID156704430
Molecular FormulaC25H23Cl2N5O
Molecular Weight480.40 g/mol
Exact Mass479.13
IUPAC Name(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H23Cl2N5O/c1-15-20(17-6-4-7-18(26)21(17)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-8-19(16)33-25/h2-8,11,14,22H,9-10,12-13,28H2,1H3/t22-/m1/s1
InChIKeyMLSCOYJHJITMNI-JOCHJYFZSA-N
XLogP5.44
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 164743863
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089597
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 146466905
(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
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 155089411
tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535877
CID 157232971
CID 157232971
6-[5-[(3R)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 167294691
(1S)-1'-(8-iodo-7-methylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 174291820
1-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-ol
CID 155447864
6-amino-2-[(3S)-3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095685
(3S,4S)-8-[8-(1H-indazol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 160868079

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 156704430) is (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The InChIKey is MLSCOYJHJITMNI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23Cl2N5O/c1-15-20(17-6-4-7-18(26)21(17)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-8-19(16)33-25/h2-8,11,14,22H,9-10,12-13,28H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 480.40 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 156704430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).