(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C28H24FN3O3 — CID 14403586

IUPAC(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2Cc2ccc(F)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24FN3O3/c29-22-13-11-19(12-14-22)16-31-18-30-23-17-32(25(28(34)35)15-24(23)31)27(33)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,18,25-26H,15-17H2,(H,34,35)/t25-/m0/s1
InChIKeyQSMPIMHGAUUGDP-VWLOTQADSA-N
MW469.52 g/mol
LogP4.24
Rot. Bonds6

About (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403586) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403586
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2Cc2ccc(F)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24FN3O3/c29-22-13-11-19(12-14-22)16-31-18-30-23-17-32(25(28(34)35)15-24(23)31)27(33)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,18,25-26H,15-17H2,(H,34,35)/t25-/m0/s1
InChIKeyQSMPIMHGAUUGDP-VWLOTQADSA-N
XLogP4.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403586) is (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@@H]1Cc2c(ncn2Cc2ccc(F)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is QSMPIMHGAUUGDP-VWLOTQADSA-N. The full InChI is InChI=1S/C28H24FN3O3/c29-22-13-11-19(12-14-22)16-31-18-30-23-17-32(25(28(34)35)15-24(23)31)27(33)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,18,25-26H,15-17H2,(H,34,35)/t25-/m0/s1.
What are the key properties of (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 469.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).