(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine

C74H78Cl3N23OS3 — CID 165064576

IUPAC(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
SMILESCOc1ccc2c(c1)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N.Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C26H28ClN7OS.2C24H25ClN8S/c1-15-21(36-19-5-8-30-23(29)20(19)27)24-31-9-12-34(24)25(32-15)33-10-6-26(7-11-33)14-16-13-17(35-2)3-4-18(16)22(26)28;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-13-28-6-2-16(15)20(24)26;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-2-6-28-13-16(15)20(24)26/h3-5,8-9,12-13,22H,6-7,10-11,14,28H2,1-2H3,(H2,29,30);2*2-3,6-8,11,13,20H,4-5,9-10,12,26H2,1H3,(H2,27,29)/t22-;2*20-/m111/s1
InChIKeyRTHOBAIEHNKEGB-JLCVOEKQSA-N
MW1508.16 g/mol
LogP12.79
Rot. Bonds10

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine (PubChem CID 165064576) has the molecular formula C74H78Cl3N23OS3 and a molecular weight of 1508.16 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine.

Molecular Properties

Compound Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
PubChem CID165064576
Molecular FormulaC74H78Cl3N23OS3
Molecular Weight1508.16 g/mol
Exact Mass1505.50
IUPAC Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
SMILESCOc1ccc2c(c1)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N.Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C26H28ClN7OS.2C24H25ClN8S/c1-15-21(36-19-5-8-30-23(29)20(19)27)24-31-9-12-34(24)25(32-15)33-10-6-26(7-11-33)14-16-13-17(35-2)3-4-18(16)22(26)28;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-13-28-6-2-16(15)20(24)26;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-2-6-28-13-16(15)20(24)26/h3-5,8-9,12-13,22H,6-7,10-11,14,28H2,1-2H3,(H2,29,30);2*2-3,6-8,11,13,20H,4-5,9-10,12,26H2,1H3,(H2,27,29)/t22-;2*20-/m111/s1
InChIKeyRTHOBAIEHNKEGB-JLCVOEKQSA-N
XLogP12.79
TPSA330.09 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001508.16
LogP ≤ 512.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine (CID 165064576) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine.
What is the SMILES notation for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine is COc1ccc2c(c1)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N.Cc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The InChIKey is RTHOBAIEHNKEGB-JLCVOEKQSA-N. The full InChI is InChI=1S/C26H28ClN7OS.2C24H25ClN8S/c1-15-21(36-19-5-8-30-23(29)20(19)27)24-31-9-12-34(24)25(32-15)33-10-6-26(7-11-33)14-16-13-17(35-2)3-4-18(16)22(26)28;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-13-28-6-2-16(15)20(24)26;1-14-19(34-17-3-7-29-21(27)18(17)25)22-30-8-11-33(22)23(31-14)32-9-4-24(5-10-32)12-15-2-6-28-13-16(15)20(24)26/h3-5,8-9,12-13,22H,6-7,10-11,14,28H2,1-2H3,(H2,29,30);2*2-3,6-8,11,13,20H,4-5,9-10,12,26H2,1H3,(H2,27,29)/t22-;2*20-/m111/s1.
What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine has a molecular weight of 1508.16 g/mol, XLogP of 12.79, 10 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine is sourced from PubChem (CID 165064576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).