7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one

C20H18N6O2 — CID 58092928

IUPAC7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cn1
InChIInChI=1S/C20H18N6O2/c1-26-12-24-16-9-15(14-3-4-17(28-2)22-11-14)25-19(18(16)20(26)27)23-10-13-5-7-21-8-6-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyRFPMGEVSTVZBSN-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.41
Rot. Bonds5

About 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one

7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 58092928) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID58092928
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cn1
InChIInChI=1S/C20H18N6O2/c1-26-12-24-16-9-15(14-3-4-17(28-2)22-11-14)25-19(18(16)20(26)27)23-10-13-5-7-21-8-6-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyRFPMGEVSTVZBSN-UHFFFAOYSA-N
XLogP2.41
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one (CID 58092928) is 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RFPMGEVSTVZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-26-12-24-16-9-15(14-3-4-17(28-2)22-11-14)25-19(18(16)20(26)27)23-10-13-5-7-21-8-6-13/h3-9,11-12H,10H2,1-2H3,(H,23,25).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 374.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58092928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).