4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine

C28H30F2N4O3 — CID 150616285

IUPAC4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(CN5CCOCC5)c4)cc3C3(CC3)C2)c1F
InChIInChI=1S/C28H30F2N4O3/c1-35-23-11-24(36-2)26(30)27(25(23)29)34-16-20-14-32-22(10-21(20)28(17-34)3-4-28)19-9-18(12-31-13-19)15-33-5-7-37-8-6-33/h9-14H,3-8,15-17H2,1-2H3
InChIKeyIUYMWQJNVXCRKH-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.32
Rot. Bonds6

About 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine

4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine (PubChem CID 150616285) has the molecular formula C28H30F2N4O3 and a molecular weight of 508.57 g/mol. Its IUPAC name is 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine
PubChem CID150616285
Molecular FormulaC28H30F2N4O3
Molecular Weight508.57 g/mol
Exact Mass508.23
IUPAC Name4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(CN5CCOCC5)c4)cc3C3(CC3)C2)c1F
InChIInChI=1S/C28H30F2N4O3/c1-35-23-11-24(36-2)26(30)27(25(23)29)34-16-20-14-32-22(10-21(20)28(17-34)3-4-28)19-9-18(12-31-13-19)15-33-5-7-37-8-6-33/h9-14H,3-8,15-17H2,1-2H3
InChIKeyIUYMWQJNVXCRKH-UHFFFAOYSA-N
XLogP4.32
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine (CID 150616285) is 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(CN5CCOCC5)c4)cc3C3(CC3)C2)c1F.
What is the InChIKey of 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine?
The InChIKey is IUYMWQJNVXCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O3/c1-35-23-11-24(36-2)26(30)27(25(23)29)34-16-20-14-32-22(10-21(20)28(17-34)3-4-28)19-9-18(12-31-13-19)15-33-5-7-37-8-6-33/h9-14H,3-8,15-17H2,1-2H3.
What are the key properties of 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine?
4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine has a molecular weight of 508.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[6,8-dihydro-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 150616285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).