(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid

C22H20N4O2 — CID 68726411

IUPAC(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1nc2c(-c3ccc4ccccc4c3)ccnc2n1[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C22H20N4O2/c1-14-24-20-19(17-7-6-15-4-2-3-5-16(15)12-17)8-10-23-21(20)26(14)18-9-11-25(13-18)22(27)28/h2-8,10,12,18H,9,11,13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyBAFSNARKCTXIQD-GOSISDBHSA-N
MW372.43 g/mol
LogP4.48
Rot. Bonds2

About (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid

(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 68726411) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID68726411
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1nc2c(-c3ccc4ccccc4c3)ccnc2n1[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C22H20N4O2/c1-14-24-20-19(17-7-6-15-4-2-3-5-16(15)12-17)8-10-23-21(20)26(14)18-9-11-25(13-18)22(27)28/h2-8,10,12,18H,9,11,13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyBAFSNARKCTXIQD-GOSISDBHSA-N
XLogP4.48
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 57425327
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425309
4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 68729145
5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione
CID 135949391
2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25212217
3-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)quinoline
CID 25211297
2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25211717
2-(1-methylindol-3-yl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25211716
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
CID 131983329
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid (CID 68726411) is (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid is Cc1nc2c(-c3ccc4ccccc4c3)ccnc2n1[C@@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is BAFSNARKCTXIQD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-24-20-19(17-7-6-15-4-2-3-5-16(15)12-17)8-10-23-21(20)26(14)18-9-11-25(13-18)22(27)28/h2-8,10,12,18H,9,11,13H2,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid?
(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).