propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C25H19F6N7O2 — CID 144908577

IUPACpropanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCC#N.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H14F6N6O2.C3H5N/c23-21(24,25)12-36-19-6-3-14(10-31-19)20(35)32-18-5-4-15(11-30-18)34-17(22(26,27)28)8-16(33-34)13-2-1-7-29-9-13;1-2-3-4/h1-11H,12H2,(H,30,32,35);2H2,1H3
InChIKeyOJCDLVMLXYOXHO-UHFFFAOYSA-N
MW563.46 g/mol
LogP5.86
Rot. Bonds6

About propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 144908577) has the molecular formula C25H19F6N7O2 and a molecular weight of 563.46 g/mol. Its IUPAC name is propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Namepropanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID144908577
Molecular FormulaC25H19F6N7O2
Molecular Weight563.46 g/mol
Exact Mass563.15
IUPAC Namepropanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCC#N.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H14F6N6O2.C3H5N/c23-21(24,25)12-36-19-6-3-14(10-31-19)20(35)32-18-5-4-15(11-30-18)34-17(22(26,27)28)8-16(33-34)13-2-1-7-29-9-13;1-2-3-4/h1-11H,12H2,(H,30,32,35);2H2,1H3
InChIKeyOJCDLVMLXYOXHO-UHFFFAOYSA-N
XLogP5.86
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-propyl-2-(pyridin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 136043740
5-fluoro-4-methyl-N-(5-(5-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethoxy)phenyl)pyrazin-2-yl)nicotinamide
CID 71010061
6-(4-methylpyrazol-1-yl)-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544245
US9765058, Example 2-4-4
CID 86580898
US9765058, Example 2-4-5
CID 86580901
6-(3-methylpyrazol-1-yl)-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463750
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 118537177
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[4-(6-methoxypyridin-2-yl)-1-methylpyrazol-3-yl]methanone
CID 130341522
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-[6-methoxy-3-(triazol-2-yl)pyridin-2-yl]methanone
CID 130341878
N-[6-cyano-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridazin-4-yl]-2-methoxypyridine-3-carboxamide
CID 152071950

Frequently Asked Questions

What is the IUPAC name of propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 144908577) is propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCC#N.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OJCDLVMLXYOXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N6O2.C3H5N/c23-21(24,25)12-36-19-6-3-14(10-31-19)20(35)32-18-5-4-15(11-30-18)34-17(22(26,27)28)8-16(33-34)13-2-1-7-29-9-13;1-2-3-4/h1-11H,12H2,(H,30,32,35);2H2,1H3.
What are the key properties of propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 563.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propanenitrile;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 144908577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).