3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C20H24N6O2 — CID 50924894

IUPAC3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H24N6O2/c1-13(2)23-19-18-16(22-12-25(3)20(18)27)10-15(24-19)14-4-5-17(21-11-14)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyKJNNQVIMQYPGDZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.05
Rot. Bonds4

About 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924894) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50924894
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H24N6O2/c1-13(2)23-19-18-16(22-12-25(3)20(18)27)10-15(24-19)14-4-5-17(21-11-14)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyKJNNQVIMQYPGDZ-UHFFFAOYSA-N
XLogP2.05
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50924894) is 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KJNNQVIMQYPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(2)23-19-18-16(22-12-25(3)20(18)27)10-15(24-19)14-4-5-17(21-11-14)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24).
What are the key properties of 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).