5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C22H23ClN8OS — CID 170179532

IUPAC5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(CC3CC3)nc3cnc(-c4ncn[nH]4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H23ClN8OS/c23-18-10-25-22(33-18)21(32)28-13-2-1-3-14(7-13)31-17-8-15(20-26-11-27-30-20)24-9-16(17)29-19(31)6-12-4-5-12/h8-14H,1-7H2,(H,28,32)(H,26,27,30)/t13-,14+/m0/s1
InChIKeySGPNRBPTFIGISP-UONOGXRCSA-N
MW483.00 g/mol
LogP4.19
Rot. Bonds6

About 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 170179532) has the molecular formula C22H23ClN8OS and a molecular weight of 483.00 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID170179532
Molecular FormulaC22H23ClN8OS
Molecular Weight483.00 g/mol
Exact Mass482.14
IUPAC Name5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(CC3CC3)nc3cnc(-c4ncn[nH]4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H23ClN8OS/c23-18-10-25-22(33-18)21(32)28-13-2-1-3-14(7-13)31-17-8-15(20-26-11-27-30-20)24-9-16(17)29-19(31)6-12-4-5-12/h8-14H,1-7H2,(H,28,32)(H,26,27,30)/t13-,14+/m0/s1
InChIKeySGPNRBPTFIGISP-UONOGXRCSA-N
XLogP4.19
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[(2R,3R)-2-hydroxy-3-[2-(2-methylpropyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885793
5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[2-(2-methylpropyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 170179503
4-chloro-N-[(1S,3R)-3-[2-(4-hydroxy-2-methylbutyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]pyridine-2-carboxamide
CID 172601962
N-[(1S,3R)-3-[6-(1,3-benzoxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5-chloro-1,3-thiazole-2-carboxamide
CID 168885448
5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]pyridine-2-carboxamide
CID 172601719
5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168886197
5-chloro-N-[(1S,3R)-3-[2-(2-fluoro-6-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168885341
5-chloro-N-[(1S,3R)-3-[2-(5-cyano-2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168885449
5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885874
5-chloro-N-[(1S,3R)-3-[6-[(2R)-2-cyanopyrrolidin-1-yl]-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885811
2,5-difluoro-N-[(1S,3R)-3-[2-[2-(2-hydroxyethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]benzamide
CID 172601959
N-[(1S,3R)-3-[2-[2-(difluoromethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-4-fluoropyridine-2-carboxamide
CID 172602022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 170179532) is 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(N[C@H]1CCC[C@@H](n2c(CC3CC3)nc3cnc(-c4ncn[nH]4)cc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is SGPNRBPTFIGISP-UONOGXRCSA-N. The full InChI is InChI=1S/C22H23ClN8OS/c23-18-10-25-22(33-18)21(32)28-13-2-1-3-14(7-13)31-17-8-15(20-26-11-27-30-20)24-9-16(17)29-19(31)6-12-4-5-12/h8-14H,1-7H2,(H,28,32)(H,26,27,30)/t13-,14+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 483.00 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3R)-3-[2-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170179532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).