4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid

C25H29ClFN5O2 — CID 123310739

IUPAC4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1CCC(Cn2c(N3CCCC3CF)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C25H29ClFN5O2/c1-15-4-6-16(7-5-15)14-32-23-20(30-25(32)31-8-2-3-19(31)11-27)10-21(24(33)34)29-22(23)17-9-18(26)13-28-12-17/h9-10,12-13,15-16,19H,2-8,11,14H2,1H3,(H,33,34)
InChIKeyIOWKQFYTAATVDT-UHFFFAOYSA-N
MW485.99 g/mol
LogP5.61
Rot. Bonds6

About 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid

4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 123310739) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID123310739
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC Name4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1CCC(Cn2c(N3CCCC3CF)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C25H29ClFN5O2/c1-15-4-6-16(7-5-15)14-32-23-20(30-25(32)31-8-2-3-19(31)11-27)10-21(24(33)34)29-22(23)17-9-18(26)13-28-12-17/h9-10,12-13,15-16,19H,2-8,11,14H2,1H3,(H,33,34)
InChIKeyIOWKQFYTAATVDT-UHFFFAOYSA-N
XLogP5.61
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.99
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76285806
4-(5-chloropyridin-3-yl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236161
1-[(4-Tert-butylphenyl)methyl]-6-chloropyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127049675
6-Chloro-1-[[4-(1-methoxy-2-methylpropan-2-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127053025
6-Chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127053026
6-Chloro-1-[[4-(4-methyloxan-4-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127053027
4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287752
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[methyl(phenyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287754
(R)-4-((1-cyclobutylethyl)amino)-2-(4-isopropylpyridin-2-yl)-7-methyl-3-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 86724466
methyl 4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 86724477
4-(5-chloropyridin-3-yl)-7-(dimethylamino)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 86724600
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid
CID 89858640

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid (CID 123310739) is 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid is CC1CCC(Cn2c(N3CCCC3CF)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is IOWKQFYTAATVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-15-4-6-16(7-5-15)14-32-23-20(30-25(32)31-8-2-3-19(31)11-27)10-21(24(33)34)29-22(23)17-9-18(26)13-28-12-17/h9-10,12-13,15-16,19H,2-8,11,14H2,1H3,(H,33,34).
What are the key properties of 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid?
4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 485.99 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 123310739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).