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3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide

C23H24N6O2 — CID 155631510

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

IUPAC3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
SMILESNc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C23H24N6O2/c24-19-17-6-7-18(14-2-1-3-15(12-14)21(30)25-16-4-5-16)26-20(17)28-22(27-19)29-10-11-31-23(13-29)8-9-23/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,25,30)(H2,24,26,27,28)
InChIKeyDPGVBCRTEBLAGA-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.54
Rot. Bonds4

About 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide

3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide (PubChem CID 155631510) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
PubChem CID155631510
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
SMILESNc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C23H24N6O2/c24-19-17-6-7-18(14-2-1-3-15(12-14)21(30)25-16-4-5-16)26-20(17)28-22(27-19)29-10-11-31-23(13-29)8-9-23/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,25,30)(H2,24,26,27,28)
InChIKeyDPGVBCRTEBLAGA-UHFFFAOYSA-N
XLogP2.54
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide (CID 155631510) is 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide is Nc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.
What is the InChIKey of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The InChIKey is DPGVBCRTEBLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-19-17-6-7-18(14-2-1-3-15(12-14)21(30)25-16-4-5-16)26-20(17)28-22(27-19)29-10-11-31-23(13-29)8-9-23/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,25,30)(H2,24,26,27,28).
What are the key properties of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide has a molecular weight of 416.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 155631510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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