5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide

C22H19ClFN5O2S — CID 168885368

IUPAC5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](O)C[C@H](n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H19ClFN5O2S/c23-19-11-26-22(32-19)21(31)27-12-7-13(9-14(30)8-12)29-18-5-6-25-10-17(18)28-20(29)15-3-1-2-4-16(15)24/h1-6,10-14,30H,7-9H2,(H,27,31)/t12-,13+,14+/m0/s1
InChIKeyXPYSXZNTUPMYOS-BFHYXJOUSA-N
MW471.95 g/mol
LogP4.23
Rot. Bonds4

About 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885368) has the molecular formula C22H19ClFN5O2S and a molecular weight of 471.95 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885368
Molecular FormulaC22H19ClFN5O2S
Molecular Weight471.95 g/mol
Exact Mass471.09
IUPAC Name5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](O)C[C@H](n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H19ClFN5O2S/c23-19-11-26-22(32-19)21(31)27-12-7-13(9-14(30)8-12)29-18-5-6-25-10-17(18)28-20(29)15-3-1-2-4-16(15)24/h1-6,10-14,30H,7-9H2,(H,27,31)/t12-,13+,14+/m0/s1
InChIKeyXPYSXZNTUPMYOS-BFHYXJOUSA-N
XLogP4.23
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885368) is 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is O=C(N[C@@H]1C[C@@H](O)C[C@H](n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is XPYSXZNTUPMYOS-BFHYXJOUSA-N. The full InChI is InChI=1S/C22H19ClFN5O2S/c23-19-11-26-22(32-19)21(31)27-12-7-13(9-14(30)8-12)29-18-5-6-25-10-17(18)28-20(29)15-3-1-2-4-16(15)24/h1-6,10-14,30H,7-9H2,(H,27,31)/t12-,13+,14+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).