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

C23H27ClN8O2S — CID 168885842

IUPAC5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCO[C@@H]1C[C@@H](NC(=O)c2ncc(Cl)s2)C[C@@H](n2c(CC(C)C)nc3cnc(-n4cncn4)cc32)C1
InChIInChI=1S/C23H27ClN8O2S/c1-13(2)4-21-30-17-9-26-20(31-12-25-11-28-31)8-18(17)32(21)15-5-14(6-16(7-15)34-3)29-22(33)23-27-10-19(24)35-23/h8-16H,4-7H2,1-3H3,(H,29,33)/t14-,15+,16+/m0/s1
InChIKeyMGZANBXZFUPDCL-ARFHVFGLSA-N
MW515.04 g/mol
LogP3.86
Rot. Bonds7

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

5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885842) has the molecular formula C23H27ClN8O2S and a molecular weight of 515.04 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885842
Molecular FormulaC23H27ClN8O2S
Molecular Weight515.04 g/mol
Exact Mass514.17
IUPAC Name5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCO[C@@H]1C[C@@H](NC(=O)c2ncc(Cl)s2)C[C@@H](n2c(CC(C)C)nc3cnc(-n4cncn4)cc32)C1
InChIInChI=1S/C23H27ClN8O2S/c1-13(2)4-21-30-17-9-26-20(31-12-25-11-28-31)8-18(17)32(21)15-5-14(6-16(7-15)34-3)29-22(33)23-27-10-19(24)35-23/h8-16H,4-7H2,1-3H3,(H,29,33)/t14-,15+,16+/m0/s1
InChIKeyMGZANBXZFUPDCL-ARFHVFGLSA-N
XLogP3.86
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885842) is 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-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,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is CO[C@@H]1C[C@@H](NC(=O)c2ncc(Cl)s2)C[C@@H](n2c(CC(C)C)nc3cnc(-n4cncn4)cc32)C1.
What is the InChIKey of 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MGZANBXZFUPDCL-ARFHVFGLSA-N. The full InChI is InChI=1S/C23H27ClN8O2S/c1-13(2)4-21-30-17-9-26-20(31-12-25-11-28-31)8-18(17)32(21)15-5-14(6-16(7-15)34-3)29-22(33)23-27-10-19(24)35-23/h8-16H,4-7H2,1-3H3,(H,29,33)/t14-,15+,16+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 515.04 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3R,5R)-3-methoxy-5-[2-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).