(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine — IUPAC name, SMILES, InChIKey & properties

Name: (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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

(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 165069583) has the molecular formula C71H73Cl3N22OS3 and a molecular weight of 1453.08 g/mol. Its IUPAC name is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name	(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID	165069583
Molecular Formula	C71H73Cl3N22OS3
Molecular Weight	1453.08 g/mol
Exact Mass	1450.46
IUPAC Name	(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILES	Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChI	InChI=1S/C25H26ClN7.C24H24ClN7OS.C22H23ClN8S2/c1-15-19(18-6-9-29-22(28)20(18)26)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-16-4-2-3-5-17(16)21(25)27;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-12-16(33-14-2-5-26-19(25)15(14)23)20-27-6-9-31(20)21(29-12)30-7-3-22(4-8-30)10-13-17(18(22)24)32-11-28-13/h2-6,9-10,13,21H,7-8,11-12,14,27H2,1H3,(H2,28,29);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2,5-6,9,11,18H,3-4,7-8,10,24H2,1H3,(H2,25,26)/t21-;20-;18-/m111/s1
InChIKey	SNRBIULGOWRCEM-PFDGWAFYSA-N
XLogP	12.55
TPSA	317.20 Å²
H-Bond Donors	6
H-Bond Acceptors	26
Rotatable Bonds	8
Heavy Atoms	100
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1453.08
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Analyze (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-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)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?

The IUPAC name of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 165069583) is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

What is the SMILES notation for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?

The canonical SMILES for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.

What is the InChIKey of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?

The InChIKey is SNRBIULGOWRCEM-PFDGWAFYSA-N. The full InChI is InChI=1S/C25H26ClN7.C24H24ClN7OS.C22H23ClN8S2/c1-15-19(18-6-9-29-22(28)20(18)26)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-16-4-2-3-5-17(16)21(25)27;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-12-16(33-14-2-5-26-19(25)15(14)23)20-27-6-9-31(20)21(29-12)30-7-3-22(4-8-30)10-13-17(18(22)24)32-11-28-13/h2-6,9-10,13,21H,7-8,11-12,14,27H2,1H3,(H2,28,29);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2,5-6,9,11,18H,3-4,7-8,10,24H2,1H3,(H2,25,26)/t21-;20-;18-/m111/s1.

What are the key properties of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?

Where does this data come from?

All data for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 165069583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).