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

C23H20F2N4O3 — CID 122482547

IUPAC6-(5-amino-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(-c4cncc(N)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H20F2N4O3/c1-31-17-7-18(32-2)20(25)21(19(17)24)29-11-13-9-28-16(12-5-14(26)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11,26H2,1-2H3
InChIKeyZDLKGMWZIWWDAC-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.60
Rot. Bonds4

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

6-(5-amino-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122482547) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 6-(5-amino-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-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID122482547
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name6-(5-amino-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(-c4cncc(N)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H20F2N4O3/c1-31-17-7-18(32-2)20(25)21(19(17)24)29-11-13-9-28-16(12-5-14(26)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11,26H2,1-2H3
InChIKeyZDLKGMWZIWWDAC-UHFFFAOYSA-N
XLogP3.60
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-amino-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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Related Compounds

US10040790, Example 23
CID 86300846
US10040790, Example 22
CID 86301153
US10040790, Example 24
CID 86301154
US10040790, Example 25
CID 86301155
US10040790, Example 28
CID 86301308
US10040790, Example 30
CID 86301310
US10040790, Example 33
CID 86301312
US10040790, Example 32
CID 86301470
US10040790, Example 38
CID 86301474
US10040790, Example 44
CID 86301788
US10851105, Example 1
CID 121293466
US10851105, Example 7
CID 121293468

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-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-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122482547) is 6-(5-amino-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-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-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(-c4cncc(N)c4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is ZDLKGMWZIWWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-31-17-7-18(32-2)20(25)21(19(17)24)29-11-13-9-28-16(12-5-14(26)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11,26H2,1-2H3.
What are the key properties of 6-(5-amino-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
6-(5-amino-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 438.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).