7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C17H14ClN5 — CID 146089193

IUPAC7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCNc3ccccc3C2)nc2cc(Cl)ccn12
InChIInChI=1S/C17H14ClN5/c18-13-5-7-23-15(10-19)17(21-16(23)9-13)22-8-6-20-14-4-2-1-3-12(14)11-22/h1-5,7,9,20H,6,8,11H2
InChIKeyHHVCWIRZMXGDCT-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.29
Rot. Bonds1

About 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 146089193) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID146089193
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCNc3ccccc3C2)nc2cc(Cl)ccn12
InChIInChI=1S/C17H14ClN5/c18-13-5-7-23-15(10-19)17(21-16(23)9-13)22-8-6-20-14-4-2-1-3-12(14)11-22/h1-5,7,9,20H,6,8,11H2
InChIKeyHHVCWIRZMXGDCT-UHFFFAOYSA-N
XLogP3.29
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 146089193) is 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(N2CCNc3ccccc3C2)nc2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is HHVCWIRZMXGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-13-5-7-23-15(10-19)17(21-16(23)9-13)22-8-6-20-14-4-2-1-3-12(14)11-22/h1-5,7,9,20H,6,8,11H2.
What are the key properties of 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 323.79 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146089193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).