6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C25H25F3N4O3 — CID 136649532

IUPAC6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC=C2C=CC(C(F)(F)F)=CC2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2
InChIInChI=1S/C25H25F3N4O3/c1-15-4-7-18(12-16(15)2)22(33)31-11-10-21-20(14-31)23(34)32(35-3)24(30-21)29-13-17-5-8-19(9-6-17)25(26,27)28/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3,(H,29,30)
InChIKeyPWJJXNNCNADYFT-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.86
Rot. Bonds4

About 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136649532) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136649532
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC=C2C=CC(C(F)(F)F)=CC2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2
InChIInChI=1S/C25H25F3N4O3/c1-15-4-7-18(12-16(15)2)22(33)31-11-10-21-20(14-31)23(34)32(35-3)24(30-21)29-13-17-5-8-19(9-6-17)25(26,27)28/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3,(H,29,30)
InChIKeyPWJJXNNCNADYFT-UHFFFAOYSA-N
XLogP3.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 136649532) is 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COn1c(NC=C2C=CC(C(F)(F)F)=CC2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2.
What is the InChIKey of 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PWJJXNNCNADYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-15-4-7-18(12-16(15)2)22(33)31-11-10-21-20(14-31)23(34)32(35-3)24(30-21)29-13-17-5-8-19(9-6-17)25(26,27)28/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3,(H,29,30).
What are the key properties of 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 486.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136649532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).