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

C24H28F2N4O3 — CID 86301788

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCN(C)CC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H28F2N4O3/c1-29-8-4-15(5-9-29)28-19-10-16-14(12-27-19)13-30(23(31)24(16)6-7-24)22-20(25)17(32-2)11-18(33-3)21(22)26/h10-12,15H,4-9,13H2,1-3H3,(H,27,28)
InChIKeyMVRQRUQUYBUKRR-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.46
Rot. Bonds5

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301788) has the molecular formula C24H28F2N4O3 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-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-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301788
Molecular FormulaC24H28F2N4O3
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCN(C)CC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H28F2N4O3/c1-29-8-4-15(5-9-29)28-19-10-16-14(12-27-19)13-30(23(31)24(16)6-7-24)22-20(25)17(32-2)11-18(33-3)21(22)26/h10-12,15H,4-9,13H2,1-3H3,(H,27,28)
InChIKeyMVRQRUQUYBUKRR-UHFFFAOYSA-N
XLogP3.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-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-methylpiperidin-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-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301788) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-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-methylpiperidin-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-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(NC4CCN(C)CC4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is MVRQRUQUYBUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O3/c1-29-8-4-15(5-9-29)28-19-10-16-14(12-27-19)13-30(23(31)24(16)6-7-24)22-20(25)17(32-2)11-18(33-3)21(22)26/h10-12,15H,4-9,13H2,1-3H3,(H,27,28).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 458.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[(1-methylpiperidin-4-yl)amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).