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

C26H21F2N5O3 — CID 122483333

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(-n5ccnc5)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C26H21F2N5O3/c1-35-20-9-21(36-2)23(28)24(22(20)27)33-13-16-11-31-19(8-18(16)26(3-4-26)25(33)34)15-7-17(12-30-10-15)32-6-5-29-14-32/h5-12,14H,3-4,13H2,1-2H3
InChIKeyIMIWAPPULTUBIS-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.20
Rot. Bonds5

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122483333) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID122483333
Molecular FormulaC26H21F2N5O3
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(-n5ccnc5)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C26H21F2N5O3/c1-35-20-9-21(36-2)23(28)24(22(20)27)33-13-16-11-31-19(8-18(16)26(3-4-26)25(33)34)15-7-17(12-30-10-15)32-6-5-29-14-32/h5-12,14H,3-4,13H2,1-2H3
InChIKeyIMIWAPPULTUBIS-UHFFFAOYSA-N
XLogP4.20
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)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-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122483333) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(-n5ccnc5)c4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is IMIWAPPULTUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c1-35-20-9-21(36-2)23(28)24(22(20)27)33-13-16-11-31-19(8-18(16)26(3-4-26)25(33)34)15-7-17(12-30-10-15)32-6-5-29-14-32/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 489.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 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-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122483333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).