[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone

C24H23F3N4O — CID 42666244

IUPAC[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C24H23F3N4O/c1-3-30(2)22-19-15-31(23(32)17-9-11-18(12-10-17)24(25,26)27)14-13-20(19)28-21(29-22)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKeyZNJZNHJUONJCAN-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.82
Rot. Bonds4

About [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 42666244) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID42666244
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C24H23F3N4O/c1-3-30(2)22-19-15-31(23(32)17-9-11-18(12-10-17)24(25,26)27)14-13-20(19)28-21(29-22)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKeyZNJZNHJUONJCAN-UHFFFAOYSA-N
XLogP4.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[ethyl(methyl)amino]-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46050709
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619
(4-methylphenyl)-[4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7350346
(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one
CID 7231693
1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 7361156
(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7271727
N-cyclohexyl-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7271673
N-(2,3-dimethylphenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7218489
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023
[4-(dimethylamino)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46160361
[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
CID 42788651
(4-tert-butylphenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786931

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 42666244) is [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is CCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZNJZNHJUONJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-3-30(2)22-19-15-31(23(32)17-9-11-18(12-10-17)24(25,26)27)14-13-20(19)28-21(29-22)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3.
What are the key properties of [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 440.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 42666244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).