1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile

C18H18N3P3 — CID 170265624

IUPAC1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc4cnc(C(P)(P)P)n4c3)cc2)CC1
InChIInChI=1S/C18H18N3P3/c19-11-17(7-8-17)14-4-1-12(2-5-14)13-3-6-15-9-20-16(18(22,23)24)21(15)10-13/h1-6,9-10H,7-8,22-24H2
InChIKeyQEFQLMAILSCPIE-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.29
Rot. Bonds3

About 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 170265624) has the molecular formula C18H18N3P3 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID170265624
Molecular FormulaC18H18N3P3
Molecular Weight369.29 g/mol
Exact Mass369.07
IUPAC Name1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc4cnc(C(P)(P)P)n4c3)cc2)CC1
InChIInChI=1S/C18H18N3P3/c19-11-17(7-8-17)14-4-1-12(2-5-14)13-3-6-15-9-20-16(18(22,23)24)21(15)10-13/h1-6,9-10H,7-8,22-24H2
InChIKeyQEFQLMAILSCPIE-UHFFFAOYSA-N
XLogP4.29
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile 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 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile (CID 170265624) is 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3ccc4cnc(C(P)(P)P)n4c3)cc2)CC1.
What is the InChIKey of 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is QEFQLMAILSCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3P3/c19-11-17(7-8-17)14-4-1-12(2-5-14)13-3-6-15-9-20-16(18(22,23)24)21(15)10-13/h1-6,9-10H,7-8,22-24H2.
What are the key properties of 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 369.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 170265624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).