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

C20H22N6O2 — CID 50924893

IUPAC5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C20H22N6O2/c1-25-12-22-16-10-15(24-19(18(16)20(25)27)23-14-3-4-14)13-2-5-17(21-11-13)26-6-8-28-9-7-26/h2,5,10-12,14H,3-4,6-9H2,1H3,(H,23,24)
InChIKeyVBOJVVNFWDKZSV-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.80
Rot. Bonds4

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

5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924893) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50924893
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C20H22N6O2/c1-25-12-22-16-10-15(24-19(18(16)20(25)27)23-14-3-4-14)13-2-5-17(21-11-13)26-6-8-28-9-7-26/h2,5,10-12,14H,3-4,6-9H2,1H3,(H,23,24)
InChIKeyVBOJVVNFWDKZSV-UHFFFAOYSA-N
XLogP1.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one (CID 50924893) is 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VBOJVVNFWDKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-12-22-16-10-15(24-19(18(16)20(25)27)23-14-3-4-14)13-2-5-17(21-11-13)26-6-8-28-9-7-26/h2,5,10-12,14H,3-4,6-9H2,1H3,(H,23,24).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).