4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

C20H22F3N5O3 — CID 166528561

IUPAC4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C20H22F3N5O3/c21-20(22,23)15-16(12-1-2-12)27-28(10-11-4-7-31-8-5-11)17(15)19(30)26-13-3-6-25-14(9-13)18(24)29/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,24,29)(H,25,26,30)
InChIKeyBBXJNPRCDYWGFC-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.95
Rot. Bonds6

About 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 166528561) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
PubChem CID166528561
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C20H22F3N5O3/c21-20(22,23)15-16(12-1-2-12)27-28(10-11-4-7-31-8-5-11)17(15)19(30)26-13-3-6-25-14(9-13)18(24)29/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,24,29)(H,25,26,30)
InChIKeyBBXJNPRCDYWGFC-UHFFFAOYSA-N
XLogP2.95
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
CID 166528504
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
CID 166528439
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
CID 166528438
4-[[3-cyclopropyl-1-[(2,2-difluorocyclobutyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylic acid
CID 167334374
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
CID 166528731
4-[[3-methyl-1-[(3,3,4,4-tetrafluorocyclopentyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528852
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528645
3-cyclopropyl-1-methyl-N-(2-methylsulfanyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide;oxolane
CID 166528777
3-cyclopropyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-1-(spiro[3.3]heptan-3-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800484
1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772175
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-(2-dimethylphosphoryl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772329

Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (CID 166528561) is 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC2CCOCC2)ccn1.
What is the InChIKey of 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is BBXJNPRCDYWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c21-20(22,23)15-16(12-1-2-12)27-28(10-11-4-7-31-8-5-11)17(15)19(30)26-13-3-6-25-14(9-13)18(24)29/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,24,29)(H,25,26,30).
What are the key properties of 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166528561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).