6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C23H17F6N7O — CID 118545182

IUPAC6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C23H17F6N7O/c24-22(25,26)11-32-21(37)14-2-4-19(31-9-14)35-20-16-5-6-36(10-18(16)33-12-34-20)15-3-1-13(8-30)17(7-15)23(27,28)29/h1-4,7,9,12H,5-6,10-11H2,(H,32,37)(H,31,33,34,35)
InChIKeyCXBCUQORASMDGV-UHFFFAOYSA-N
MW521.43 g/mol
LogP4.36
Rot. Bonds5

About 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 118545182) has the molecular formula C23H17F6N7O and a molecular weight of 521.43 g/mol. Its IUPAC name is 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID118545182
Molecular FormulaC23H17F6N7O
Molecular Weight521.43 g/mol
Exact Mass521.14
IUPAC Name6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C23H17F6N7O/c24-22(25,26)11-32-21(37)14-2-4-19(31-9-14)35-20-16-5-6-36(10-18(16)33-12-34-20)15-3-1-13(8-30)17(7-15)23(27,28)29/h1-4,7,9,12H,5-6,10-11H2,(H,32,37)(H,31,33,34,35)
InChIKeyCXBCUQORASMDGV-UHFFFAOYSA-N
XLogP4.36
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 118545182) is 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F.
What is the InChIKey of 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CXBCUQORASMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N7O/c24-22(25,26)11-32-21(37)14-2-4-19(31-9-14)35-20-16-5-6-36(10-18(16)33-12-34-20)15-3-1-13(8-30)17(7-15)23(27,28)29/h1-4,7,9,12H,5-6,10-11H2,(H,32,37)(H,31,33,34,35).
What are the key properties of 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 521.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).