2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid

C20H15ClN4O2 — CID 70719891

IUPAC2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c21-17-9-12(4-5-15(17)20(26)27)16-10-18(25-19-14(16)6-8-23-19)24-11-13-3-1-2-7-22-13/h1-10H,11H2,(H,26,27)(H2,23,24,25)
InChIKeyQYXKHMRGWKMIIP-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.59
Rot. Bonds5

About 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid

2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid (PubChem CID 70719891) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
PubChem CID70719891
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c21-17-9-12(4-5-15(17)20(26)27)16-10-18(25-19-14(16)6-8-23-19)24-11-13-3-1-2-7-22-13/h1-10H,11H2,(H,26,27)(H2,23,24,25)
InChIKeyQYXKHMRGWKMIIP-UHFFFAOYSA-N
XLogP4.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 70728609
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
N-(pyridin-2-ylmethyl)-4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899720
4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
CID 56911743
5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916716
6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
CID 56882752
4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
4-(2,6-dimethyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70781252
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid?
The IUPAC name of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid (CID 70719891) is 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid?
The canonical SMILES for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid is O=C(O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl.
What is the InChIKey of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid?
The InChIKey is QYXKHMRGWKMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-17-9-12(4-5-15(17)20(26)27)16-10-18(25-19-14(16)6-8-23-19)24-11-13-3-1-2-7-22-13/h1-10H,11H2,(H,26,27)(H2,23,24,25).
What are the key properties of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid?
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid has a molecular weight of 378.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid is sourced from PubChem (CID 70719891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).