2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine

C25H25FN6O — CID 162439736

IUPAC2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine
SMILESCN1CCC2(CC1)OC2(C)c1ccc2cnc(Nc3ccc(-n4cccn4)cc3F)cc2n1
InChIInChI=1S/C25H25FN6O/c1-24(25(33-24)8-12-31(2)13-9-25)22-7-4-17-16-27-23(15-21(17)29-22)30-20-6-5-18(14-19(20)26)32-11-3-10-28-32/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,30)
InChIKeyXXBPTYWLFWYJGX-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.41
Rot. Bonds4

About 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine

2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine (PubChem CID 162439736) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine
PubChem CID162439736
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine
SMILESCN1CCC2(CC1)OC2(C)c1ccc2cnc(Nc3ccc(-n4cccn4)cc3F)cc2n1
InChIInChI=1S/C25H25FN6O/c1-24(25(33-24)8-12-31(2)13-9-25)22-7-4-17-16-27-23(15-21(17)29-22)30-20-6-5-18(14-19(20)26)32-11-3-10-28-32/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,30)
InChIKeyXXBPTYWLFWYJGX-UHFFFAOYSA-N
XLogP4.41
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(3-amino-1-methylpiperidin-4-yl)-N-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]thiohydroxylamine
CID 166940492
2-[4-(2-fluoro-4-pyrazol-1-ylanilino)cyclohexyl]sulfanyl-1,6-naphthyridin-7-amine
CID 156719464
2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol
CID 162439811
2-[(1-ethylpiperidin-4-yl)-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]amino]acetaldehyde
CID 162439741
N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
CID 166940435
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
4-N-ethenyl-2-fluoro-4-N-(methylideneamino)-1-N-[2-[1-(1-methylpiperidin-4-yl)ethenyl]-1,6-naphthyridin-7-yl]benzene-1,4-diamine
CID 156719511
N-(2-fluorophenyl)-1,6-naphthyridin-7-amine
CID 164883929
3-fluoro-1-(3-methylbutyl)-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124811
tert-butyl 3-[3-fluoro-4-[[2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperidine-1-carboxylate
CID 166940437
1-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]pyrazole
CID 146146312
5-pyrazol-1-yl-2,3-dihydro-1H-isoindole
CID 166850817

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine?
The IUPAC name of 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine (CID 162439736) is 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine.
What is the SMILES notation for 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine?
The canonical SMILES for 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine is CN1CCC2(CC1)OC2(C)c1ccc2cnc(Nc3ccc(-n4cccn4)cc3F)cc2n1.
What is the InChIKey of 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine?
The InChIKey is XXBPTYWLFWYJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-24(25(33-24)8-12-31(2)13-9-25)22-7-4-17-16-27-23(15-21(17)29-22)30-20-6-5-18(14-19(20)26)32-11-3-10-28-32/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,30).
What are the key properties of 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine?
2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine has a molecular weight of 444.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine is sourced from PubChem (CID 162439736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).