6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

C26H18F6N8OS — CID 118545173

IUPAC6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCc4nc(C(F)(F)F)cs4)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C26H18F6N8OS/c27-25(28,29)18-7-16(3-1-14(18)8-33)40-6-5-17-19(11-40)36-13-37-23(17)39-21-4-2-15(9-34-21)24(41)35-10-22-38-20(12-42-22)26(30,31)32/h1-4,7,9,12-13H,5-6,10-11H2,(H,35,41)(H,34,36,37,39)
InChIKeyYGBIUCWZPMCAAA-UHFFFAOYSA-N
MW604.54 g/mol
LogP5.47
Rot. Bonds6

About 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 118545173) has the molecular formula C26H18F6N8OS and a molecular weight of 604.54 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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID118545173
Molecular FormulaC26H18F6N8OS
Molecular Weight604.54 g/mol
Exact Mass604.12
IUPAC Name6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCc4nc(C(F)(F)F)cs4)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C26H18F6N8OS/c27-25(28,29)18-7-16(3-1-14(18)8-33)40-6-5-17-19(11-40)36-13-37-23(17)39-21-4-2-15(9-34-21)24(41)35-10-22-38-20(12-42-22)26(30,31)32/h1-4,7,9,12-13H,5-6,10-11H2,(H,35,41)(H,34,36,37,39)
InChIKeyYGBIUCWZPMCAAA-UHFFFAOYSA-N
XLogP5.47
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (CID 118545173) is 6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCc4nc(C(F)(F)F)cs4)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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is YGBIUCWZPMCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N8OS/c27-25(28,29)18-7-16(3-1-14(18)8-33)40-6-5-17-19(11-40)36-13-37-23(17)39-21-4-2-15(9-34-21)24(41)35-10-22-38-20(12-42-22)26(30,31)32/h1-4,7,9,12-13H,5-6,10-11H2,(H,35,41)(H,34,36,37,39).
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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 604.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118545173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).