5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile

C24H16ClN7 — CID 171494572

IUPAC5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)cn1
InChIInChI=1S/C24H16ClN7/c25-12-15-3-7-18(8-4-15)32-23(19-2-1-11-28-22(19)27)31-21-10-9-20(30-24(21)32)16-5-6-17(13-26)29-14-16/h1-11,14H,12H2,(H2,27,28)
InChIKeyJLCMUDAZBJYOGT-UHFFFAOYSA-N
MW437.89 g/mol
LogP4.74
Rot. Bonds4

About 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile

5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile (PubChem CID 171494572) has the molecular formula C24H16ClN7 and a molecular weight of 437.89 g/mol. Its IUPAC name is 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
PubChem CID171494572
Molecular FormulaC24H16ClN7
Molecular Weight437.89 g/mol
Exact Mass437.12
IUPAC Name5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)cn1
InChIInChI=1S/C24H16ClN7/c25-12-15-3-7-18(8-4-15)32-23(19-2-1-11-28-22(19)27)31-21-10-9-20(30-24(21)32)16-5-6-17(13-26)29-14-16/h1-11,14H,12H2,(H2,27,28)
InChIKeyJLCMUDAZBJYOGT-UHFFFAOYSA-N
XLogP4.74
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile (CID 171494572) is 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)cn1.
What is the InChIKey of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?
The InChIKey is JLCMUDAZBJYOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN7/c25-12-15-3-7-18(8-4-15)32-23(19-2-1-11-28-22(19)27)31-21-10-9-20(30-24(21)32)16-5-6-17(13-26)29-14-16/h1-11,14H,12H2,(H2,27,28).
What are the key properties of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile has a molecular weight of 437.89 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 171494572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).