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

C23H25F2N3O3 — CID 86301472

IUPAC6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H25F2N3O3/c1-30-16-10-17(31-2)20(25)21(19(16)24)28-12-13-11-26-18(27-14-5-3-4-6-14)9-15(13)23(7-8-23)22(28)29/h9-11,14H,3-8,12H2,1-2H3,(H,26,27)
InChIKeyROWWMGUULGUJPH-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.31
Rot. Bonds5

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

6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301472) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301472
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H25F2N3O3/c1-30-16-10-17(31-2)20(25)21(19(16)24)28-12-13-11-26-18(27-14-5-3-4-6-14)9-15(13)23(7-8-23)22(28)29/h9-11,14H,3-8,12H2,1-2H3,(H,26,27)
InChIKeyROWWMGUULGUJPH-UHFFFAOYSA-N
XLogP4.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301472) is 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCC4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is ROWWMGUULGUJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-30-16-10-17(31-2)20(25)21(19(16)24)28-12-13-11-26-18(27-14-5-3-4-6-14)9-15(13)23(7-8-23)22(28)29/h9-11,14H,3-8,12H2,1-2H3,(H,26,27).
What are the key properties of 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 429.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).