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

C23H19F2N3O3 — CID 122474079

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cccnc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H19F2N3O3/c1-30-17-9-18(31-2)20(25)21(19(17)24)28-12-14-11-27-16(13-4-3-7-26-10-13)8-15(14)23(5-6-23)22(28)29/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyMVKPTHHFJXWIKQ-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.02
Rot. Bonds4

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122474079) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID122474079
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cccnc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H19F2N3O3/c1-30-17-9-18(31-2)20(25)21(19(17)24)28-12-14-11-27-16(13-4-3-7-26-10-13)8-15(14)23(5-6-23)22(28)29/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyMVKPTHHFJXWIKQ-UHFFFAOYSA-N
XLogP4.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122474079) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cccnc4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is MVKPTHHFJXWIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-30-17-9-18(31-2)20(25)21(19(17)24)28-12-14-11-27-16(13-4-3-7-26-10-13)8-15(14)23(5-6-23)22(28)29/h3-4,7-11H,5-6,12H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 423.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-pyridin-3-ylspiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122474079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).