2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid

C19H20ClN5O2 — CID 144652474

IUPAC2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESNc1nc2cc(C(=O)O)nc(-c3cncc(Cl)c3)c2n1CC1CCCCC1
InChIInChI=1S/C19H20ClN5O2/c20-13-6-12(8-22-9-13)16-17-14(7-15(23-16)18(26)27)24-19(21)25(17)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,21,24)(H,26,27)
InChIKeyMSXIPLXAEKTLRF-UHFFFAOYSA-N
MW385.86 g/mol
LogP4.01
Rot. Bonds4

About 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid

2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 144652474) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID144652474
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESNc1nc2cc(C(=O)O)nc(-c3cncc(Cl)c3)c2n1CC1CCCCC1
InChIInChI=1S/C19H20ClN5O2/c20-13-6-12(8-22-9-13)16-17-14(7-15(23-16)18(26)27)24-19(21)25(17)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,21,24)(H,26,27)
InChIKeyMSXIPLXAEKTLRF-UHFFFAOYSA-N
XLogP4.01
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

6-Chloro-3-(1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl)-1H-indole-2-carboxylic acid
CID 44825260
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
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
8-Chloro-2-morpholin-4-yl-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869696
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
US10273222, Example 87
CID 86269079

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid (CID 144652474) is 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid is Nc1nc2cc(C(=O)O)nc(-c3cncc(Cl)c3)c2n1CC1CCCCC1.
What is the InChIKey of 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is MSXIPLXAEKTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-13-6-12(8-22-9-13)16-17-14(7-15(23-16)18(26)27)24-19(21)25(17)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,21,24)(H,26,27).
What are the key properties of 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 385.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-chloro-3-pyridinyl)-3-(cyclohexylmethyl)imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 144652474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).