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

C21H22F3N7O2 — CID 118060953

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C21H22F3N7O2/c1-20(2)7-8-31(19(20)33)17-16(11-29(3)28-17)27-18(32)15-6-4-5-14(26-15)13-9-25-30(10-13)12-21(22,23)24/h4-6,9-11H,7-8,12H2,1-3H3,(H,27,32)
InChIKeyJCQZQKNUHXBAQV-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.26
Rot. Bonds5

About 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

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 (PubChem CID 118060953) has the molecular formula C21H22F3N7O2 and a molecular weight of 461.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID118060953
Molecular FormulaC21H22F3N7O2
Molecular Weight461.45 g/mol
Exact Mass461.18
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C21H22F3N7O2/c1-20(2)7-8-31(19(20)33)17-16(11-29(3)28-17)27-18(32)15-6-4-5-14(26-15)13-9-25-30(10-13)12-21(22,23)24/h4-6,9-11H,7-8,12H2,1-3H3,(H,27,32)
InChIKeyJCQZQKNUHXBAQV-UHFFFAOYSA-N
XLogP3.26
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide
CID 118062961
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
6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
CID 118061205
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 118061324
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118061048
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-[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]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 118061161
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
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
CID 118060937
2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 118061263
6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 122472125

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of 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?
The InChIKey is JCQZQKNUHXBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O2/c1-20(2)7-8-31(19(20)33)17-16(11-29(3)28-17)27-18(32)15-6-4-5-14(26-15)13-9-25-30(10-13)12-21(22,23)24/h4-6,9-11H,7-8,12H2,1-3H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 461.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118060953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).