4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide

C20H22F3N5O2 — CID 166528504

IUPAC4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
SMILESC=C(Nc1ccnc(C(N)=O)c1)c1c(C(F)(F)F)c(C2CC2)nn1CC1CCOC1
InChIInChI=1S/C20H22F3N5O2/c1-11(26-14-4-6-25-15(8-14)19(24)29)18-16(20(21,22)23)17(13-2-3-13)27-28(18)9-12-5-7-30-10-12/h4,6,8,12-13H,1-3,5,7,9-10H2,(H2,24,29)(H,25,26)
InChIKeyGOFRHYUHDDCIKJ-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.39
Rot. Bonds7

About 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide

4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide (PubChem CID 166528504) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
PubChem CID166528504
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
SMILESC=C(Nc1ccnc(C(N)=O)c1)c1c(C(F)(F)F)c(C2CC2)nn1CC1CCOC1
InChIInChI=1S/C20H22F3N5O2/c1-11(26-14-4-6-25-15(8-14)19(24)29)18-16(20(21,22)23)17(13-2-3-13)27-28(18)9-12-5-7-30-10-12/h4,6,8,12-13H,1-3,5,7,9-10H2,(H2,24,29)(H,25,26)
InChIKeyGOFRHYUHDDCIKJ-UHFFFAOYSA-N
XLogP3.39
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528561
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-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
CID 166528731
4-[[3-cyclopropyl-1-[(2,2-difluorocyclobutyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylic acid
CID 167334374
4-[[3-methyl-1-[(3,3,4,4-tetrafluorocyclopentyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528852
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528645
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-(2-dimethylphosphoryl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772329
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide (CID 166528504) is 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide is C=C(Nc1ccnc(C(N)=O)c1)c1c(C(F)(F)F)c(C2CC2)nn1CC1CCOC1.
What is the InChIKey of 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide?
The InChIKey is GOFRHYUHDDCIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-11(26-14-4-6-25-15(8-14)19(24)29)18-16(20(21,22)23)17(13-2-3-13)27-28(18)9-12-5-7-30-10-12/h4,6,8,12-13H,1-3,5,7,9-10H2,(H2,24,29)(H,25,26).
What are the key properties of 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide?
4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide is sourced from PubChem (CID 166528504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).