6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C21H25N7O2 — CID 170430895

IUPAC6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(Nc3ncc4ccnc([C@@]5(C)CNCCO5)c4n3)cc2C1
InChIInChI=1S/C21H25N7O2/c1-21(12-22-6-8-30-21)18-17-13(3-5-23-18)10-24-20(27-17)26-16-9-14-11-28(2)7-4-15(14)25-19(16)29/h3,5,9-10,22H,4,6-8,11-12H2,1-2H3,(H,25,29)(H,24,26,27)/t21-/m1/s1
InChIKeyJZQVQOVYOQATLX-OAQYLSRUSA-N
MW407.48 g/mol
LogP1.28
Rot. Bonds3

About 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 170430895) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID170430895
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(Nc3ncc4ccnc([C@@]5(C)CNCCO5)c4n3)cc2C1
InChIInChI=1S/C21H25N7O2/c1-21(12-22-6-8-30-21)18-17-13(3-5-23-18)10-24-20(27-17)26-16-9-14-11-28(2)7-4-15(14)25-19(16)29/h3,5,9-10,22H,4,6-8,11-12H2,1-2H3,(H,25,29)(H,24,26,27)/t21-/m1/s1
InChIKeyJZQVQOVYOQATLX-OAQYLSRUSA-N
XLogP1.28
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one 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 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 170430895) is 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CN1CCc2[nH]c(=O)c(Nc3ncc4ccnc([C@@]5(C)CNCCO5)c4n3)cc2C1.
What is the InChIKey of 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is JZQVQOVYOQATLX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-21(12-22-6-8-30-21)18-17-13(3-5-23-18)10-24-20(27-17)26-16-9-14-11-28(2)7-4-15(14)25-19(16)29/h3,5,9-10,22H,4,6-8,11-12H2,1-2H3,(H,25,29)(H,24,26,27)/t21-/m1/s1.
What are the key properties of 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 407.48 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 170430895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).