N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide

C23H17F6N7O — CID 118545146

IUPACN-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(NC(=O)CC(F)(F)F)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C23H17F6N7O/c24-22(25,26)8-20(37)34-14-2-4-19(31-10-14)35-21-16-5-6-36(11-18(16)32-12-33-21)15-3-1-13(9-30)17(7-15)23(27,28)29/h1-4,7,10,12H,5-6,8,11H2,(H,34,37)(H,31,32,33,35)
InChIKeyIEUBMPYWYMFAGX-UHFFFAOYSA-N
MW521.43 g/mol
LogP4.96
Rot. Bonds5

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

N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide (PubChem CID 118545146) has the molecular formula C23H17F6N7O and a molecular weight of 521.43 g/mol. Its IUPAC name is N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide
PubChem CID118545146
Molecular FormulaC23H17F6N7O
Molecular Weight521.43 g/mol
Exact Mass521.14
IUPAC NameN-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide
SMILESN#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(NC(=O)CC(F)(F)F)cn3)C2)cc1C(F)(F)F
InChIInChI=1S/C23H17F6N7O/c24-22(25,26)8-20(37)34-14-2-4-19(31-10-14)35-21-16-5-6-36(11-18(16)32-12-33-21)15-3-1-13(9-30)17(7-15)23(27,28)29/h1-4,7,10,12H,5-6,8,11H2,(H,34,37)(H,31,32,33,35)
InChIKeyIEUBMPYWYMFAGX-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide (CID 118545146) is N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide is N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(NC(=O)CC(F)(F)F)cn3)C2)cc1C(F)(F)F.
What is the InChIKey of N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide?
The InChIKey is IEUBMPYWYMFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N7O/c24-22(25,26)8-20(37)34-14-2-4-19(31-10-14)35-21-16-5-6-36(11-18(16)32-12-33-21)15-3-1-13(9-30)17(7-15)23(27,28)29/h1-4,7,10,12H,5-6,8,11H2,(H,34,37)(H,31,32,33,35).
What are the key properties of N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide?
N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide has a molecular weight of 521.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 118545146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).