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

C25H28N6O3 — CID 155131241

IUPAC3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(N)=O)c3)ccc12
InChIInChI=1S/C25H28N6O3/c1-16-14-33-11-10-31(16)23-19-5-6-20(17-3-2-4-18(13-17)21(26)32)27-22(19)28-24(29-23)30-9-12-34-25(15-30)7-8-25/h2-6,13,16H,7-12,14-15H2,1H3,(H2,26,32)/t16-/m0/s1
InChIKeyDXLRNVJSZRLXJQ-INIZCTEOSA-N
MW460.54 g/mol
LogP2.38
Rot. Bonds4

About 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

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 (PubChem CID 155131241) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID155131241
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(N)=O)c3)ccc12
InChIInChI=1S/C25H28N6O3/c1-16-14-33-11-10-31(16)23-19-5-6-20(17-3-2-4-18(13-17)21(26)32)27-22(19)28-24(29-23)30-9-12-34-25(15-30)7-8-25/h2-6,13,16H,7-12,14-15H2,1H3,(H2,26,32)/t16-/m0/s1
InChIKeyDXLRNVJSZRLXJQ-INIZCTEOSA-N
XLogP2.38
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 155131241) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(N)=O)c3)ccc12.
What is the InChIKey of 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?
The InChIKey is DXLRNVJSZRLXJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-14-33-11-10-31(16)23-19-5-6-20(17-3-2-4-18(13-17)21(26)32)27-22(19)28-24(29-23)30-9-12-34-25(15-30)7-8-25/h2-6,13,16H,7-12,14-15H2,1H3,(H2,26,32)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 460.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155131241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).