4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid

C22H22N4O5 — CID 51974677

IUPAC4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
SMILESCOc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H22N4O5/c1-30-15-7-8-18(31-2)16(11-15)20-19-17(23-12-24-19)9-10-26(20)22(29)25-14-5-3-13(4-6-14)21(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,23,24)(H,25,29)(H,27,28)/t20-/m1/s1
InChIKeyUCDLBQQWYIIOBV-HXUWFJFHSA-N
MW422.44 g/mol
LogP3.30
Rot. Bonds5

About 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid

4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid (PubChem CID 51974677) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
PubChem CID51974677
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
SMILESCOc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H22N4O5/c1-30-15-7-8-18(31-2)16(11-15)20-19-17(23-12-24-19)9-10-26(20)22(29)25-14-5-3-13(4-6-14)21(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,23,24)(H,25,29)(H,27,28)/t20-/m1/s1
InChIKeyUCDLBQQWYIIOBV-HXUWFJFHSA-N
XLogP3.30
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
4-[[(4R)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974804
methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147617
methyl 4-[[(4R)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147620
methyl 4-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648903
methyl (2R)-2-[[(4S)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 51841919
methyl 3-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147324
methyl 4-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39378080
methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648788
methyl 4-[[(4S)-4-(2,3-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29139330
N-(4-ethoxyphenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145387
methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid (CID 51974677) is 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid is COc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?
The InChIKey is UCDLBQQWYIIOBV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-15-7-8-18(31-2)16(11-15)20-19-17(23-12-24-19)9-10-26(20)22(29)25-14-5-3-13(4-6-14)21(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,23,24)(H,25,29)(H,27,28)/t20-/m1/s1.
What are the key properties of 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid?
4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid has a molecular weight of 422.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 51974677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).