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

C22H19ClFN5OS — CID 168885713

IUPAC5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H19ClFN5OS/c23-19-12-26-22(31-19)21(30)27-13-4-3-5-14(10-13)29-18-8-9-25-11-17(18)28-20(29)15-6-1-2-7-16(15)24/h1-2,6-9,11-14H,3-5,10H2,(H,27,30)
InChIKeyZAMKQUMOOCUEJC-UHFFFAOYSA-N
MW455.95 g/mol
LogP5.26
Rot. Bonds4

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

5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885713) has the molecular formula C22H19ClFN5OS and a molecular weight of 455.95 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885713
Molecular FormulaC22H19ClFN5OS
Molecular Weight455.95 g/mol
Exact Mass455.10
IUPAC Name5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H19ClFN5OS/c23-19-12-26-22(31-19)21(30)27-13-4-3-5-14(10-13)29-18-8-9-25-11-17(18)28-20(29)15-6-1-2-7-16(15)24/h1-2,6-9,11-14H,3-5,10H2,(H,27,30)
InChIKeyZAMKQUMOOCUEJC-UHFFFAOYSA-N
XLogP5.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885713) is 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnccc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZAMKQUMOOCUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5OS/c23-19-12-26-22(31-19)21(30)27-13-4-3-5-14(10-13)29-18-8-9-25-11-17(18)28-20(29)15-6-1-2-7-16(15)24/h1-2,6-9,11-14H,3-5,10H2,(H,27,30).
What are the key properties of 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).