2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C123H122N32O3S4 — CID 165019007

IUPAC2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3ccc(N4CCC(=O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C31H30N8O2S.C31H32N8S.C31H29N7OS.C30H31N9S/c1-4-24-28(37(3)31-36-27(25(15-32)42-31)20-7-5-19(2)6-8-20)39-18-22(9-10-26(39)35-24)23-16-33-30(34-17-23)38-13-11-21(12-14-38)29(40)41;1-4-25-30(37(3)31-36-29(26(17-32)40-31)21-7-5-20(2)6-8-21)39-19-23(10-12-28(39)35-25)22-9-11-27(34-18-22)38-15-13-24(33)14-16-38;1-4-25-30(36(3)31-35-29(26(17-32)40-31)21-7-5-20(2)6-8-21)38-19-23(10-12-28(38)34-25)22-9-11-27(33-18-22)37-15-13-24(39)14-16-37;1-4-24-28(37(3)30-36-27(25(15-31)40-30)20-7-5-19(2)6-8-20)39-18-21(9-10-26(39)35-24)22-16-33-29(34-17-22)38-13-11-23(32)12-14-38/h5-10,16-18,21H,4,11-14H2,1-3H3,(H,40,41);5-12,18-19,24H,4,13-16,33H2,1-3H3;5-12,18-19H,4,13-16H2,1-3H3;5-10,16-18,23H,4,11-14,32H2,1-3H3
InChIKeyKWHGHJQQJQOAQS-UHFFFAOYSA-N
MW2224.82 g/mol
LogP23.24
Rot. Bonds25

About 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 165019007) has the molecular formula C123H122N32O3S4 and a molecular weight of 2224.82 g/mol. Its IUPAC name is 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID165019007
Molecular FormulaC123H122N32O3S4
Molecular Weight2224.82 g/mol
Exact Mass2222.93
IUPAC Name2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3ccc(N4CCC(=O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C31H30N8O2S.C31H32N8S.C31H29N7OS.C30H31N9S/c1-4-24-28(37(3)31-36-27(25(15-32)42-31)20-7-5-19(2)6-8-20)39-18-22(9-10-26(39)35-24)23-16-33-30(34-17-23)38-13-11-21(12-14-38)29(40)41;1-4-25-30(37(3)31-36-29(26(17-32)40-31)21-7-5-20(2)6-8-21)39-19-23(10-12-28(39)35-25)22-9-11-27(34-18-22)38-15-13-24(33)14-16-38;1-4-25-30(36(3)31-35-29(26(17-32)40-31)21-7-5-20(2)6-8-21)38-19-23(10-12-28(38)34-25)22-9-11-27(33-18-22)37-15-13-24(39)14-16-37;1-4-24-28(37(3)30-36-27(25(15-31)40-30)20-7-5-19(2)6-8-20)39-18-21(9-10-26(39)35-24)22-16-33-29(34-17-22)38-13-11-23(32)12-14-38/h5-10,16-18,21H,4,11-14H2,1-3H3,(H,40,41);5-12,18-19,24H,4,13-16,33H2,1-3H3;5-12,18-19H,4,13-16H2,1-3H3;5-10,16-18,23H,4,11-14,32H2,1-3H3
InChIKeyKWHGHJQQJQOAQS-UHFFFAOYSA-N
XLogP23.24
TPSA425.59 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002224.82
LogP ≤ 523.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Analyze 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 165019007) is 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3ccc(N4CCC(=O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nc2ccc(-c3cnc(N4CCC(N)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.
What is the InChIKey of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is KWHGHJQQJQOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O2S.C31H32N8S.C31H29N7OS.C30H31N9S/c1-4-24-28(37(3)31-36-27(25(15-32)42-31)20-7-5-19(2)6-8-20)39-18-22(9-10-26(39)35-24)23-16-33-30(34-17-23)38-13-11-21(12-14-38)29(40)41;1-4-25-30(37(3)31-36-29(26(17-32)40-31)21-7-5-20(2)6-8-21)39-19-23(10-12-28(39)35-25)22-9-11-27(34-18-22)38-15-13-24(33)14-16-38;1-4-25-30(36(3)31-35-29(26(17-32)40-31)21-7-5-20(2)6-8-21)38-19-23(10-12-28(38)34-25)22-9-11-27(33-18-22)37-15-13-24(39)14-16-37;1-4-24-28(37(3)30-36-27(25(15-31)40-30)20-7-5-19(2)6-8-20)39-18-21(9-10-26(39)35-24)22-16-33-29(34-17-22)38-13-11-23(32)12-14-38/h5-10,16-18,21H,4,11-14H2,1-3H3,(H,40,41);5-12,18-19,24H,4,13-16,33H2,1-3H3;5-12,18-19H,4,13-16H2,1-3H3;5-10,16-18,23H,4,11-14,32H2,1-3H3.
What are the key properties of 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 2224.82 g/mol, XLogP of 23.24, 25 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[6-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;1-[5-[3-[[5-cyano-4-(4-methylphenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;2-[[2-ethyl-6-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 165019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).