2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine

C17H13ClN6 — CID 118311727

IUPAC2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
SMILESClc1cc(Nc2n[nH]c3cccnc23)ccc1Nc1ccccn1
InChIInChI=1S/C17H13ClN6/c18-12-10-11(6-7-13(12)22-15-5-1-2-8-19-15)21-17-16-14(23-24-17)4-3-9-20-16/h1-10H,(H,19,22)(H2,21,23,24)
InChIKeyYBAIQBSMTRBYKH-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.49
Rot. Bonds4

About 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine

2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine (PubChem CID 118311727) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
PubChem CID118311727
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
SMILESClc1cc(Nc2n[nH]c3cccnc23)ccc1Nc1ccccn1
InChIInChI=1S/C17H13ClN6/c18-12-10-11(6-7-13(12)22-15-5-1-2-8-19-15)21-17-16-14(23-24-17)4-3-9-20-16/h1-10H,(H,19,22)(H2,21,23,24)
InChIKeyYBAIQBSMTRBYKH-UHFFFAOYSA-N
XLogP4.49
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine (CID 118311727) is 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine is Clc1cc(Nc2n[nH]c3cccnc23)ccc1Nc1ccccn1.
What is the InChIKey of 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine?
The InChIKey is YBAIQBSMTRBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c18-12-10-11(6-7-13(12)22-15-5-1-2-8-19-15)21-17-16-14(23-24-17)4-3-9-20-16/h1-10H,(H,19,22)(H2,21,23,24).
What are the key properties of 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine?
2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine has a molecular weight of 336.79 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 118311727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).