(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C20H19N3O3 — CID 907811

IUPAC(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(OCc3ccccc3)cc2)N1
InChIInChI=1S/C20H19N3O3/c24-20(25)17-10-16-19(22-12-21-16)18(23-17)14-6-8-15(9-7-14)26-11-13-4-2-1-3-5-13/h1-9,12,17-18,23H,10-11H2,(H,21,22)(H,24,25)/t17-,18-/m1/s1
InChIKeyHTAQDIXJJZMJEG-QZTJIDSGSA-N
MW349.39 g/mol
LogP2.68
Rot. Bonds5

About (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 907811) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID907811
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(OCc3ccccc3)cc2)N1
InChIInChI=1S/C20H19N3O3/c24-20(25)17-10-16-19(22-12-21-16)18(23-17)14-6-8-15(9-7-14)26-11-13-4-2-1-3-5-13/h1-9,12,17-18,23H,10-11H2,(H,21,22)(H,24,25)/t17-,18-/m1/s1
InChIKeyHTAQDIXJJZMJEG-QZTJIDSGSA-N
XLogP2.68
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,6R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 95474297
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656965
4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656960
(4R,6S)-4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908984
(4S,6S)-4-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908860
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 28873201
1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one
CID 23225789
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 907811) is (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(OCc3ccccc3)cc2)N1.
What is the InChIKey of (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is HTAQDIXJJZMJEG-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(25)17-10-16-19(22-12-21-16)18(23-17)14-6-8-15(9-7-14)26-11-13-4-2-1-3-5-13/h1-9,12,17-18,23H,10-11H2,(H,21,22)(H,24,25)/t17-,18-/m1/s1.
What are the key properties of (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 907811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).