6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one

C23H27N7O2 — CID 67177752

IUPAC6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
SMILESCC1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)nc2)nc2c1CCN(C)C2
InChIInChI=1S/C23H27N7O2/c1-15-14-32-11-10-30(15)23-17-8-9-29(2)13-18(17)25-22(28-23)16-6-7-19(24-12-16)26-20-4-3-5-21(31)27-20/h3-7,12,15H,8-11,13-14H2,1-2H3,(H2,24,26,27,31)
InChIKeyZEHUTQGVUBWPFL-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.18
Rot. Bonds4

About 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one

6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one (PubChem CID 67177752) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
PubChem CID67177752
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
SMILESCC1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)nc2)nc2c1CCN(C)C2
InChIInChI=1S/C23H27N7O2/c1-15-14-32-11-10-30(15)23-17-8-9-29(2)13-18(17)25-22(28-23)16-6-7-19(24-12-16)26-20-4-3-5-21(31)27-20/h3-7,12,15H,8-11,13-14H2,1-2H3,(H2,24,26,27,31)
InChIKeyZEHUTQGVUBWPFL-UHFFFAOYSA-N
XLogP2.18
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one?
The IUPAC name of 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one (CID 67177752) is 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one is CC1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)nc2)nc2c1CCN(C)C2.
What is the InChIKey of 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one?
The InChIKey is ZEHUTQGVUBWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-14-32-11-10-30(15)23-17-8-9-29(2)13-18(17)25-22(28-23)16-6-7-19(24-12-16)26-20-4-3-5-21(31)27-20/h3-7,12,15H,8-11,13-14H2,1-2H3,(H2,24,26,27,31).
What are the key properties of 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one?
6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one has a molecular weight of 433.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 67177752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).