2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

C25H30N6O4 — CID 57441916

IUPAC2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC
InChIInChI=1S/C25H30N6O4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32)/t16-/m0/s1
InChIKeyCJDHLHTWNMSWFZ-INIZCTEOSA-N
MW478.55 g/mol
LogP2.12
Rot. Bonds5

About 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 57441916) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID57441916
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC
InChIInChI=1S/C25H30N6O4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32)/t16-/m0/s1
InChIKeyCJDHLHTWNMSWFZ-INIZCTEOSA-N
XLogP2.12
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 57441916) is 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is CNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4)nc3n2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is CJDHLHTWNMSWFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-16-15-35-13-10-31(16)23-18-5-6-20(17-4-7-21(33-3)19(14-17)24(32)26-2)27-22(18)28-25(29-23)30-8-11-34-12-9-30/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32)/t16-/m0/s1.
What are the key properties of 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 57441916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).