(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine

C18H14ClN5 — CID 117074777

IUPAC(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1nc2ncc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H14ClN5/c19-14-3-1-12(2-4-14)16(20)18-23-15-9-13(10-22-17(15)24-18)11-5-7-21-8-6-11/h1-10,16H,20H2,(H,22,23,24)
InChIKeyFIZOJCMHFAAOIT-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.72
Rot. Bonds3

About (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine

(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine (PubChem CID 117074777) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
PubChem CID117074777
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1nc2ncc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H14ClN5/c19-14-3-1-12(2-4-14)16(20)18-23-15-9-13(10-22-17(15)24-18)11-5-7-21-8-6-11/h1-10,16H,20H2,(H,22,23,24)
InChIKeyFIZOJCMHFAAOIT-UHFFFAOYSA-N
XLogP3.72
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine (CID 117074777) is (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine is NC(c1ccc(Cl)cc1)c1nc2ncc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The InChIKey is FIZOJCMHFAAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-14-3-1-12(2-4-14)16(20)18-23-15-9-13(10-22-17(15)24-18)11-5-7-21-8-6-11/h1-10,16H,20H2,(H,22,23,24).
What are the key properties of (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
(4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine has a molecular weight of 335.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 117074777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).