N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

C17H11F10N5O2 — CID 87378036

IUPACN-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(=O)NC2CC2(F)F)c1
InChIInChI=1S/C17H11F10N5O2/c1-32-10(9(16(22,23)24)11(31-32)15(20,21)17(25,26)27)13(34)29-6-2-3-28-7(4-6)12(33)30-8-5-14(8,18)19/h2-4,8H,5H2,1H3,(H,30,33)(H,28,29,34)
InChIKeyKNFYQVYKSQCJSJ-UHFFFAOYSA-N
MW507.29 g/mol
LogP3.88
Rot. Bonds5

About N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 87378036) has the molecular formula C17H11F10N5O2 and a molecular weight of 507.29 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
PubChem CID87378036
Molecular FormulaC17H11F10N5O2
Molecular Weight507.29 g/mol
Exact Mass507.08
IUPAC NameN-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(=O)NC2CC2(F)F)c1
InChIInChI=1S/C17H11F10N5O2/c1-32-10(9(16(22,23)24)11(31-32)15(20,21)17(25,26)27)13(34)29-6-2-3-28-7(4-6)12(33)30-8-5-14(8,18)19/h2-4,8H,5H2,1H3,(H,30,33)(H,28,29,34)
InChIKeyKNFYQVYKSQCJSJ-UHFFFAOYSA-N
XLogP3.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (CID 87378036) is N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(=O)NC2CC2(F)F)c1.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is KNFYQVYKSQCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F10N5O2/c1-32-10(9(16(22,23)24)11(31-32)15(20,21)17(25,26)27)13(34)29-6-2-3-28-7(4-6)12(33)30-8-5-14(8,18)19/h2-4,8H,5H2,1H3,(H,30,33)(H,28,29,34).
What are the key properties of N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 507.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-4-[[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 87378036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).