2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

C22H21F2N5O3 — CID 86301475

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(Nc4cnn(C)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C22H21F2N5O3/c1-28-11-13(9-26-28)27-17-6-14-12(8-25-17)10-29(21(30)22(14)4-5-22)20-18(23)15(31-2)7-16(32-3)19(20)24/h6-9,11H,4-5,10H2,1-3H3,(H,25,27)
InChIKeyFVDRKBARHIIISQ-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.43
Rot. Bonds5

About 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301475) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301475
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(Nc4cnn(C)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C22H21F2N5O3/c1-28-11-13(9-26-28)27-17-6-14-12(8-25-17)10-29(21(30)22(14)4-5-22)20-18(23)15(31-2)7-16(32-3)19(20)24/h6-9,11H,4-5,10H2,1-3H3,(H,25,27)
InChIKeyFVDRKBARHIIISQ-UHFFFAOYSA-N
XLogP3.43
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301475) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(Nc4cnn(C)c4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is FVDRKBARHIIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-28-11-13(9-26-28)27-17-6-14-12(8-25-17)10-29(21(30)22(14)4-5-22)20-18(23)15(31-2)7-16(32-3)19(20)24/h6-9,11H,4-5,10H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 441.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpyrazol-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).