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

C24H22F2N4O3 — CID 122483369

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cc(N)cnc4C)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H22F2N4O3/c1-12-15(6-14(27)10-28-12)17-7-16-13(9-29-17)11-30(23(31)24(16)4-5-24)22-20(25)18(32-2)8-19(33-3)21(22)26/h6-10H,4-5,11,27H2,1-3H3
InChIKeyNQSGEAWINZPUMZ-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.91
Rot. Bonds4

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

6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122483369) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID122483369
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cc(N)cnc4C)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H22F2N4O3/c1-12-15(6-14(27)10-28-12)17-7-16-13(9-29-17)11-30(23(31)24(16)4-5-24)22-20(25)18(32-2)8-19(33-3)21(22)26/h6-10H,4-5,11,27H2,1-3H3
InChIKeyNQSGEAWINZPUMZ-UHFFFAOYSA-N
XLogP3.91
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)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 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122483369) is 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cc(N)cnc4C)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is NQSGEAWINZPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-12-15(6-14(27)10-28-12)17-7-16-13(9-29-17)11-30(23(31)24(16)4-5-24)22-20(25)18(32-2)8-19(33-3)21(22)26/h6-10H,4-5,11,27H2,1-3H3.
What are the key properties of 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 452.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methyl-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122483369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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