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

C22H27N7O — CID 170795318

IUPAC6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESC[C@@H]1CCCCN1c1nccc2cnc(NC3=CC4CN(C)CCC4=NC3=O)nc12
InChIInChI=1S/C22H27N7O/c1-14-5-3-4-9-29(14)20-19-15(6-8-23-20)12-24-22(27-19)26-18-11-16-13-28(2)10-7-17(16)25-21(18)30/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3,(H,24,26,27)/t14-,16?/m1/s1
InChIKeyQVPXEFPBZLVBKL-IURRXHLWSA-N
MW405.51 g/mol
LogP2.63
Rot. Bonds3

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

6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 170795318) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID170795318
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESC[C@@H]1CCCCN1c1nccc2cnc(NC3=CC4CN(C)CCC4=NC3=O)nc12
InChIInChI=1S/C22H27N7O/c1-14-5-3-4-9-29(14)20-19-15(6-8-23-20)12-24-22(27-19)26-18-11-16-13-28(2)10-7-17(16)25-21(18)30/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3,(H,24,26,27)/t14-,16?/m1/s1
InChIKeyQVPXEFPBZLVBKL-IURRXHLWSA-N
XLogP2.63
TPSA86.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 170795318) is 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one is C[C@@H]1CCCCN1c1nccc2cnc(NC3=CC4CN(C)CCC4=NC3=O)nc12.
What is the InChIKey of 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is QVPXEFPBZLVBKL-IURRXHLWSA-N. The full InChI is InChI=1S/C22H27N7O/c1-14-5-3-4-9-29(14)20-19-15(6-8-23-20)12-24-22(27-19)26-18-11-16-13-28(2)10-7-17(16)25-21(18)30/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3,(H,24,26,27)/t14-,16?/m1/s1.
What are the key properties of 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 405.51 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 170795318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).