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

C22H27ClN6O3S — CID 168885718

IUPAC5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1cc2nc(CC(C)C)n([C@@H]3CCC[C@H](NC(=O)c4ncc(Cl)s4)[C@H]3O)c2cn1
InChIInChI=1S/C22H27ClN6O3S/c1-11(2)7-18-27-13-8-14(20(31)24-3)25-9-16(13)29(18)15-6-4-5-12(19(15)30)28-21(32)22-26-10-17(23)33-22/h8-12,15,19,30H,4-7H2,1-3H3,(H,24,31)(H,28,32)/t12-,15+,19+/m0/s1
InChIKeyHWHOOJCPXFCARK-IOHHAYIISA-N
MW491.02 g/mol
LogP2.98
Rot. Bonds6

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

5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885718) has the molecular formula C22H27ClN6O3S and a molecular weight of 491.02 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885718
Molecular FormulaC22H27ClN6O3S
Molecular Weight491.02 g/mol
Exact Mass490.16
IUPAC Name5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1cc2nc(CC(C)C)n([C@@H]3CCC[C@H](NC(=O)c4ncc(Cl)s4)[C@H]3O)c2cn1
InChIInChI=1S/C22H27ClN6O3S/c1-11(2)7-18-27-13-8-14(20(31)24-3)25-9-16(13)29(18)15-6-4-5-12(19(15)30)28-21(32)22-26-10-17(23)33-22/h8-12,15,19,30H,4-7H2,1-3H3,(H,24,31)(H,28,32)/t12-,15+,19+/m0/s1
InChIKeyHWHOOJCPXFCARK-IOHHAYIISA-N
XLogP2.98
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.02
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885718) is 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is CNC(=O)c1cc2nc(CC(C)C)n([C@@H]3CCC[C@H](NC(=O)c4ncc(Cl)s4)[C@H]3O)c2cn1.
What is the InChIKey of 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HWHOOJCPXFCARK-IOHHAYIISA-N. The full InChI is InChI=1S/C22H27ClN6O3S/c1-11(2)7-18-27-13-8-14(20(31)24-3)25-9-16(13)29(18)15-6-4-5-12(19(15)30)28-21(32)22-26-10-17(23)33-22/h8-12,15,19,30H,4-7H2,1-3H3,(H,24,31)(H,28,32)/t12-,15+,19+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 491.02 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R,3R)-2-hydroxy-3-[6-(methylcarbamoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).