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

C19H18F3N7O3 — CID 165415185

IUPAC1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C19H18F3N7O3/c1-27-16(12(9-24-27)18(31)28-5-7-32-8-6-28)17(30)26-14-10-29(11-23-14)15-4-2-3-13(25-15)19(20,21)22/h2-4,9-11H,5-8H2,1H3,(H,26,30)
InChIKeyLRXZCOBGJORSSG-UHFFFAOYSA-N
MW449.39 g/mol
LogP1.74
Rot. Bonds4

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

1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide (PubChem CID 165415185) has the molecular formula C19H18F3N7O3 and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
PubChem CID165415185
Molecular FormulaC19H18F3N7O3
Molecular Weight449.39 g/mol
Exact Mass449.14
IUPAC Name1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C19H18F3N7O3/c1-27-16(12(9-24-27)18(31)28-5-7-32-8-6-28)17(30)26-14-10-29(11-23-14)15-4-2-3-13(25-15)19(20,21)22/h2-4,9-11H,5-8H2,1H3,(H,26,30)
InChIKeyLRXZCOBGJORSSG-UHFFFAOYSA-N
XLogP1.74
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide (CID 165415185) is 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is LRXZCOBGJORSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O3/c1-27-16(12(9-24-27)18(31)28-5-7-32-8-6-28)17(30)26-14-10-29(11-23-14)15-4-2-3-13(25-15)19(20,21)22/h2-4,9-11H,5-8H2,1H3,(H,26,30).
What are the key properties of 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide?
1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).