4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide

C18H16F3N7O2 — CID 165415226

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C18H16F3N7O2/c1-26-15(11(8-23-26)17(30)27-6-3-7-27)16(29)25-13-9-28(10-22-13)14-5-2-4-12(24-14)18(19,20)21/h2,4-5,8-10H,3,6-7H2,1H3,(H,25,29)
InChIKeySROWLMLIKJANFY-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.12
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide (PubChem CID 165415226) has the molecular formula C18H16F3N7O2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
PubChem CID165415226
Molecular FormulaC18H16F3N7O2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C18H16F3N7O2/c1-26-15(11(8-23-26)17(30)27-6-3-7-27)16(29)25-13-9-28(10-22-13)14-5-2-4-12(24-14)18(19,20)21/h2,4-5,8-10H,3,6-7H2,1H3,(H,25,29)
InChIKeySROWLMLIKJANFY-UHFFFAOYSA-N
XLogP2.12
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide (CID 165415226) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is SROWLMLIKJANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O2/c1-26-15(11(8-23-26)17(30)27-6-3-7-27)16(29)25-13-9-28(10-22-13)14-5-2-4-12(24-14)18(19,20)21/h2,4-5,8-10H,3,6-7H2,1H3,(H,25,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 419.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).