N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C21H16F4N4O — CID 25234909

IUPACN-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2cncnc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N4O/c22-16-5-7-17(8-6-16)28-20(30)29-10-9-14-11-26-12-27-18(14)19(29)13-1-3-15(4-2-13)21(23,24)25/h1-8,11-12,19H,9-10H2,(H,28,30)
InChIKeyHBSIDFVCWOXNNO-UHFFFAOYSA-N
MW416.38 g/mol
LogP4.81
Rot. Bonds2

About N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 25234909) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID25234909
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2cncnc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N4O/c22-16-5-7-17(8-6-16)28-20(30)29-10-9-14-11-26-12-27-18(14)19(29)13-1-3-15(4-2-13)21(23,24)25/h1-8,11-12,19H,9-10H2,(H,28,30)
InChIKeyHBSIDFVCWOXNNO-UHFFFAOYSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 25234909) is N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is O=C(Nc1ccc(F)cc1)N1CCc2cncnc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is HBSIDFVCWOXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O/c22-16-5-7-17(8-6-16)28-20(30)29-10-9-14-11-26-12-27-18(14)19(29)13-1-3-15(4-2-13)21(23,24)25/h1-8,11-12,19H,9-10H2,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 25234909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).