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2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C22H21N7O — CID 155631501

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(-c4ccn[nH]4)c3)ccc12
InChIInChI=1S/C22H21N7O/c23-19-16-4-5-17(14-2-1-3-15(12-14)18-6-9-24-28-18)25-20(16)27-21(26-19)29-10-11-30-22(13-29)7-8-22/h1-6,9,12H,7-8,10-11,13H2,(H,24,28)(H2,23,25,26,27)
InChIKeyMFFQLXYMHVOQQC-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 155631501) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID155631501
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(-c4ccn[nH]4)c3)ccc12
InChIInChI=1S/C22H21N7O/c23-19-16-4-5-17(14-2-1-3-15(12-14)18-6-9-24-28-18)25-20(16)27-21(26-19)29-10-11-30-22(13-29)7-8-22/h1-6,9,12H,7-8,10-11,13H2,(H,24,28)(H2,23,25,26,27)
InChIKeyMFFQLXYMHVOQQC-UHFFFAOYSA-N
XLogP3.03
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 155631501) is 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(-c4ccn[nH]4)c3)ccc12.
What is the InChIKey of 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is MFFQLXYMHVOQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-19-16-4-5-17(14-2-1-3-15(12-14)18-6-9-24-28-18)25-20(16)27-21(26-19)29-10-11-30-22(13-29)7-8-22/h1-6,9,12H,7-8,10-11,13H2,(H,24,28)(H2,23,25,26,27).
What are the key properties of 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 399.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155631501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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