N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide

C24H20F3N7O — CID 134178580

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N
InChIInChI=1S/C24H20F3N7O/c1-13-5-22(29)32-14(2)18(13)10-31-23(35)19-12-34(33-21(19)8-28)11-15-3-4-20-16(6-15)7-17(9-30-20)24(25,26)27/h3-7,9,12H,10-11H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyAFPHIOZWMKEEPJ-UHFFFAOYSA-N
MW479.47 g/mol
LogP3.89
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide (PubChem CID 134178580) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide
PubChem CID134178580
Molecular FormulaC24H20F3N7O
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N
InChIInChI=1S/C24H20F3N7O/c1-13-5-22(29)32-14(2)18(13)10-31-23(35)19-12-34(33-21(19)8-28)11-15-3-4-20-16(6-15)7-17(9-30-20)24(25,26)27/h3-7,9,12H,10-11H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyAFPHIOZWMKEEPJ-UHFFFAOYSA-N
XLogP3.89
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide (CID 134178580) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is AFPHIOZWMKEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-13-5-22(29)32-14(2)18(13)10-31-23(35)19-12-34(33-21(19)8-28)11-15-3-4-20-16(6-15)7-17(9-30-20)24(25,26)27/h3-7,9,12H,10-11H2,1-2H3,(H2,29,32)(H,31,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134178580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).