4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

C18H16F7N5O3 — CID 166528645

IUPAC4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(OC(F)F)nn2C[C@H]2CCC(F)(F)C2)ccn1
InChIInChI=1S/C18H16F7N5O3/c19-16(20)33-15-11(18(23,24)25)12(30(29-15)7-8-1-3-17(21,22)6-8)14(32)28-9-2-4-27-10(5-9)13(26)31/h2,4-5,8,16H,1,3,6-7H2,(H2,26,31)(H,27,28,32)/t8-/m0/s1
InChIKeyBWBQTHORUFKIPC-QMMMGPOBSA-N
MW483.34 g/mol
LogP3.68
Rot. Bonds7

About 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 166528645) has the molecular formula C18H16F7N5O3 and a molecular weight of 483.34 g/mol. Its IUPAC name is 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
PubChem CID166528645
Molecular FormulaC18H16F7N5O3
Molecular Weight483.34 g/mol
Exact Mass483.11
IUPAC Name4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(OC(F)F)nn2C[C@H]2CCC(F)(F)C2)ccn1
InChIInChI=1S/C18H16F7N5O3/c19-16(20)33-15-11(18(23,24)25)12(30(29-15)7-8-1-3-17(21,22)6-8)14(32)28-9-2-4-27-10(5-9)13(26)31/h2,4-5,8,16H,1,3,6-7H2,(H2,26,31)(H,27,28,32)/t8-/m0/s1
InChIKeyBWBQTHORUFKIPC-QMMMGPOBSA-N
XLogP3.68
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-methyl-1-[(3,3,4,4-tetrafluorocyclopentyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528852
4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528561
5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
CID 172751835
5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
CID 166528496
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(2-methylsulfonyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239583
4-[[3-cyclopropyl-1-[(2,2-difluorocyclobutyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylic acid
CID 167334374
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 167334388
1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800789
N-(3-aminosulfanylphenyl)-1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole-5-carboxamide
CID 167239237
methyl 4-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylpyridine-2-carboxylate
CID 166528486
4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
CID 166528504

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (CID 166528645) is 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(OC(F)F)nn2C[C@H]2CCC(F)(F)C2)ccn1.
What is the InChIKey of 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is BWBQTHORUFKIPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C18H16F7N5O3/c19-16(20)33-15-11(18(23,24)25)12(30(29-15)7-8-1-3-17(21,22)6-8)14(32)28-9-2-4-27-10(5-9)13(26)31/h2,4-5,8,16H,1,3,6-7H2,(H2,26,31)(H,27,28,32)/t8-/m0/s1.
What are the key properties of 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 483.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166528645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).