2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C24H24N8 — CID 146591674

IUPAC2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3ncccc3c(-c3ccn(C4(CC#N)CN(CC5CC5)C4)n3)n2)cn1
InChIInChI=1S/C24H24N8/c1-30-14-18(12-27-30)21-11-22-19(3-2-9-26-22)23(28-21)20-6-10-32(29-20)24(7-8-25)15-31(16-24)13-17-4-5-17/h2-3,6,9-12,14,17H,4-5,7,13,15-16H2,1H3
InChIKeySARNOCFHOAOKBQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.23
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 146591674) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID146591674
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3ncccc3c(-c3ccn(C4(CC#N)CN(CC5CC5)C4)n3)n2)cn1
InChIInChI=1S/C24H24N8/c1-30-14-18(12-27-30)21-11-22-19(3-2-9-26-22)23(28-21)20-6-10-32(29-20)24(7-8-25)15-31(16-24)13-17-4-5-17/h2-3,6,9-12,14,17H,4-5,7,13,15-16H2,1H3
InChIKeySARNOCFHOAOKBQ-UHFFFAOYSA-N
XLogP3.23
TPSA88.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile 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 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 146591674) is 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3ncccc3c(-c3ccn(C4(CC#N)CN(CC5CC5)C4)n3)n2)cn1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is SARNOCFHOAOKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-30-14-18(12-27-30)21-11-22-19(3-2-9-26-22)23(28-21)20-6-10-32(29-20)24(7-8-25)15-31(16-24)13-17-4-5-17/h2-3,6,9-12,14,17H,4-5,7,13,15-16H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 424.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 146591674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).