N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

C20H15F3N8O — CID 58103036

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H15F3N8O/c21-20(22,23)16-9-30(10-25-16)13-6-7-24-15(8-13)19(32)28-17-3-1-2-14(27-17)18-29-26-11-31(18)12-4-5-12/h1-3,6-12H,4-5H2,(H,27,28,32)
InChIKeyHLVLRZLEIYSGOP-UHFFFAOYSA-N
MW440.39 g/mol
LogP3.53
Rot. Bonds5

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (PubChem CID 58103036) has the molecular formula C20H15F3N8O and a molecular weight of 440.39 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
PubChem CID58103036
Molecular FormulaC20H15F3N8O
Molecular Weight440.39 g/mol
Exact Mass440.13
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H15F3N8O/c21-20(22,23)16-9-30(10-25-16)13-6-7-24-15(8-13)19(32)28-17-3-1-2-14(27-17)18-29-26-11-31(18)12-4-5-12/h1-3,6-12H,4-5H2,(H,27,28,32)
InChIKeyHLVLRZLEIYSGOP-UHFFFAOYSA-N
XLogP3.53
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]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

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (CID 58103036) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The InChIKey is HLVLRZLEIYSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N8O/c21-20(22,23)16-9-30(10-25-16)13-6-7-24-15(8-13)19(32)28-17-3-1-2-14(27-17)18-29-26-11-31(18)12-4-5-12/h1-3,6-12H,4-5H2,(H,27,28,32).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide has a molecular weight of 440.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58103036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).