(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

C15H13F3N4O2 — CID 99858606

IUPAC(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ncnc2c1CN(C(=O)c1cccnc1C(F)(F)F)CC2
InChIInChI=1S/C15H13F3N4O2/c1-24-13-10-7-22(6-4-11(10)20-8-21-13)14(23)9-3-2-5-19-12(9)15(16,17)18/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGKMNFZRXPRPNKR-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.10
Rot. Bonds2

About (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 99858606) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID99858606
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ncnc2c1CN(C(=O)c1cccnc1C(F)(F)F)CC2
InChIInChI=1S/C15H13F3N4O2/c1-24-13-10-7-22(6-4-11(10)20-8-21-13)14(23)9-3-2-5-19-12(9)15(16,17)18/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGKMNFZRXPRPNKR-UHFFFAOYSA-N
XLogP2.10
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

2-((3-fluorobenzyl)oxy)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008606
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(6-methyl-3-pyridinyl)methanone
CID 49821910
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 56653271
2-Amino-6-(6-methoxypyridin-3-yl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258820
2-Amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258865
2-Amino-8-[(4-fluorooxan-4-yl)methyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258932
[3-[2-(2-Methoxypyrimidin-5-yl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone
CID 117902649
[3-[2-[2-(Dimethylamino)pyrimidin-5-yl]phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone
CID 117902833
US9296747, Example 17
CID 118970904
US9296747, Example 6
CID 118970908
US9296747, Example 5
CID 118970909

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 99858606) is (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is COc1ncnc2c1CN(C(=O)c1cccnc1C(F)(F)F)CC2.
What is the InChIKey of (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is GKMNFZRXPRPNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-24-13-10-7-22(6-4-11(10)20-8-21-13)14(23)9-3-2-5-19-12(9)15(16,17)18/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 338.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 99858606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).