2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile

C24H21F2N5O3 — CID 122474111

IUPAC2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(CC#N)nc4C)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H21F2N5O3/c1-13-15(12-30(29-13)7-6-27)17-8-16-14(10-28-17)11-31(23(32)24(16)4-5-24)22-20(25)18(33-2)9-19(34-3)21(22)26/h8-10,12H,4-5,7,11H2,1-3H3
InChIKeyHJBUVPWQDSLNIU-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.65
Rot. Bonds5

About 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile

2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile (PubChem CID 122474111) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile
PubChem CID122474111
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(CC#N)nc4C)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H21F2N5O3/c1-13-15(12-30(29-13)7-6-27)17-8-16-14(10-28-17)11-31(23(32)24(16)4-5-24)22-20(25)18(33-2)9-19(34-3)21(22)26/h8-10,12H,4-5,7,11H2,1-3H3
InChIKeyHJBUVPWQDSLNIU-UHFFFAOYSA-N
XLogP3.65
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile (CID 122474111) is 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(CC#N)nc4C)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile?
The InChIKey is HJBUVPWQDSLNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-15(12-30(29-13)7-6-27)17-8-16-14(10-28-17)11-31(23(32)24(16)4-5-24)22-20(25)18(33-2)9-19(34-3)21(22)26/h8-10,12H,4-5,7,11H2,1-3H3.
What are the key properties of 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile?
2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile has a molecular weight of 465.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-methylpyrazol-1-yl]acetonitrile is sourced from PubChem (CID 122474111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).