N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C22H20F6N6O2 — CID 165129742

IUPACN-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)c2)C1
InChIInChI=1S/C22H20F6N6O2/c1-20(36)5-6-33(11-20)14-7-17(18(29-9-14)22(26,27)28)32-19(35)16-4-2-3-15(31-16)13-8-30-34(10-13)12-21(23,24)25/h2-4,7-10,36H,5-6,11-12H2,1H3,(H,32,35)
InChIKeyAXSPEFDOGAHHAN-UHFFFAOYSA-N
MW514.43 g/mol
LogP4.13
Rot. Bonds5

About N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129742) has the molecular formula C22H20F6N6O2 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID165129742
Molecular FormulaC22H20F6N6O2
Molecular Weight514.43 g/mol
Exact Mass514.16
IUPAC NameN-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)c2)C1
InChIInChI=1S/C22H20F6N6O2/c1-20(36)5-6-33(11-20)14-7-17(18(29-9-14)22(26,27)28)32-19(35)16-4-2-3-15(31-16)13-8-30-34(10-13)12-21(23,24)25/h2-4,7-10,36H,5-6,11-12H2,1H3,(H,32,35)
InChIKeyAXSPEFDOGAHHAN-UHFFFAOYSA-N
XLogP4.13
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129741
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118060953
ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129744
N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129854
N-[6-[(3R)-3-(2-fluoropropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129793
3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822102
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129757
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146424772
4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 122445367
(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 71253777
N-[[4-(dimethylamino)phenyl]methyl]-6-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 24737472
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 31015660

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129742) is N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC1(O)CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)c2)C1.
What is the InChIKey of N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is AXSPEFDOGAHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N6O2/c1-20(36)5-6-33(11-20)14-7-17(18(29-9-14)22(26,27)28)32-19(35)16-4-2-3-15(31-16)13-8-30-34(10-13)12-21(23,24)25/h2-4,7-10,36H,5-6,11-12H2,1H3,(H,32,35).
What are the key properties of N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 514.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).