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

C24H22F3N9 — CID 142530256

IUPAC2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2ccc(-c3nc(-c4cnn(C5CNC5)c4)cc4ncccc34)n2)CN(CC(F)(F)F)C1
InChIInChI=1S/C24H22F3N9/c25-24(26,27)15-34-13-23(14-34,4-5-28)36-7-3-19(33-36)22-18-2-1-6-30-21(18)8-20(32-22)16-9-31-35(12-16)17-10-29-11-17/h1-3,6-9,12,17,29H,4,10-11,13-15H2
InChIKeyLPVZOBBMSHJVQX-UHFFFAOYSA-N
MW493.50 g/mol
LogP2.99
Rot. Bonds6

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

2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 142530256) has the molecular formula C24H22F3N9 and a molecular weight of 493.50 g/mol. Its IUPAC name is 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID142530256
Molecular FormulaC24H22F3N9
Molecular Weight493.50 g/mol
Exact Mass493.20
IUPAC Name2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2ccc(-c3nc(-c4cnn(C5CNC5)c4)cc4ncccc34)n2)CN(CC(F)(F)F)C1
InChIInChI=1S/C24H22F3N9/c25-24(26,27)15-34-13-23(14-34,4-5-28)36-7-3-19(33-36)22-18-2-1-6-30-21(18)8-20(32-22)16-9-31-35(12-16)17-10-29-11-17/h1-3,6-9,12,17,29H,4,10-11,13-15H2
InChIKeyLPVZOBBMSHJVQX-UHFFFAOYSA-N
XLogP2.99
TPSA100.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 142530256) is 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is N#CCC1(n2ccc(-c3nc(-c4cnn(C5CNC5)c4)cc4ncccc34)n2)CN(CC(F)(F)F)C1.
What is the InChIKey of 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is LPVZOBBMSHJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N9/c25-24(26,27)15-34-13-23(14-34,4-5-28)36-7-3-19(33-36)22-18-2-1-6-30-21(18)8-20(32-22)16-9-31-35(12-16)17-10-29-11-17/h1-3,6-9,12,17,29H,4,10-11,13-15H2.
What are the key properties of 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 493.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[7-[1-(azetidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 142530256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).