3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid

C23H19ClFN5O3S — CID 155574586

IUPAC3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](NC(=O)c4ccc(Cl)s4)C3)c2cn1
InChIInChI=1S/C23H19ClFN5O3S/c24-19-7-6-18(34-19)22(31)28-12-3-1-4-13(9-12)30-17-11-27-16(23(32)33)10-15(17)29-21(30)20-14(25)5-2-8-26-20/h2,5-8,10-13H,1,3-4,9H2,(H,28,31)(H,32,33)/t12-,13+/m1/s1
InChIKeyBOAZBPFVKACHDD-OLZOCXBDSA-N
MW499.96 g/mol
LogP4.96
Rot. Bonds5

About 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid

3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 155574586) has the molecular formula C23H19ClFN5O3S and a molecular weight of 499.96 g/mol. Its IUPAC name is 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID155574586
Molecular FormulaC23H19ClFN5O3S
Molecular Weight499.96 g/mol
Exact Mass499.09
IUPAC Name3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](NC(=O)c4ccc(Cl)s4)C3)c2cn1
InChIInChI=1S/C23H19ClFN5O3S/c24-19-7-6-18(34-19)22(31)28-12-3-1-4-13(9-12)30-17-11-27-16(23(32)33)10-15(17)29-21(30)20-14(25)5-2-8-26-20/h2,5-8,10-13H,1,3-4,9H2,(H,28,31)(H,32,33)/t12-,13+/m1/s1
InChIKeyBOAZBPFVKACHDD-OLZOCXBDSA-N
XLogP4.96
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

5-[[[4-[(3-Chloro-4-fluorophenyl)methylcarbamoyl]-5-methylpyrrolo[3,2-d]pyrimidin-7-yl]amino]methyl]thiophene-2-carboxylic acid
CID 90719723
3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)-N-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 155574568
3-[3-[(5-Chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 155574571
5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
CID 155574580
5-chloro-N-[(1R,3S)-3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
CID 155574605
3-[3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)-N-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 155574618
3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 167566660
1-[[2-(5-Chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-5-carboxylic acid
CID 11180301
3-[[2-(5-Chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-5-carboxylic acid
CID 11307287
2-[(3S,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(pentan-3-ylamino)piperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridine-4-carboxylic acid
CID 60135939
6-chloro-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid
CID 153637868
methyl 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate
CID 155574578

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid (CID 155574586) is 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](NC(=O)c4ccc(Cl)s4)C3)c2cn1.
What is the InChIKey of 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is BOAZBPFVKACHDD-OLZOCXBDSA-N. The full InChI is InChI=1S/C23H19ClFN5O3S/c24-19-7-6-18(34-19)22(31)28-12-3-1-4-13(9-12)30-17-11-27-16(23(32)33)10-15(17)29-21(30)20-14(25)5-2-8-26-20/h2,5-8,10-13H,1,3-4,9H2,(H,28,31)(H,32,33)/t12-,13+/m1/s1.
What are the key properties of 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 499.96 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3R)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 155574586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).