6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C12H13ClN6 — CID 107463910

IUPAC6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(Cl)cnc21
InChIInChI=1S/C12H13ClN6/c1-3-8-10(6-18(2)17-8)19-11-9(16-12(19)14)4-7(13)5-15-11/h4-6H,3H2,1-2H3,(H2,14,16)
InChIKeyPHBSJFMLTLYESE-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.95
Rot. Bonds2

About 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 107463910) has the molecular formula C12H13ClN6 and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID107463910
Molecular FormulaC12H13ClN6
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(Cl)cnc21
InChIInChI=1S/C12H13ClN6/c1-3-8-10(6-18(2)17-8)19-11-9(16-12(19)14)4-7(13)5-15-11/h4-6H,3H2,1-2H3,(H2,14,16)
InChIKeyPHBSJFMLTLYESE-UHFFFAOYSA-N
XLogP1.95
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine 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 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 107463910) is 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is CCc1nn(C)cc1-n1c(N)nc2cc(Cl)cnc21.
What is the InChIKey of 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is PHBSJFMLTLYESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6/c1-3-8-10(6-18(2)17-8)19-11-9(16-12(19)14)4-7(13)5-15-11/h4-6H,3H2,1-2H3,(H2,14,16).
What are the key properties of 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 276.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 107463910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).