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

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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Related Compounds

3-[4-amino-2-(2-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631497
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
CID 157466769
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
3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155631453
7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 155631479
3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(5R)-6-oxa-2-thia-9-azaspiro[4.5]decan-9-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155131267
3-[4-amino-2-[(6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631438
3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane
CID 160939112
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 176671150
4-bromobenzoyl chloride;3-bromo-N-cyclopropylbenzamide;3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide;cyclopropanamine;N-cyclopropyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;bis(N-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;4-oxa-7-azaspiro[2.5]octane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160670215

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).