1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide

C15H19F3N4O2 — CID 166308624

IUPAC1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1ncc2c1CC(C(=O)N[C@@H]1CC[C@H](C(F)(F)F)NC1=O)CC2
InChIInChI=1S/C15H19F3N4O2/c1-22-11-6-8(2-3-9(11)7-19-22)13(23)20-10-4-5-12(15(16,17)18)21-14(10)24/h7-8,10,12H,2-6H2,1H3,(H,20,23)(H,21,24)/t8?,10-,12-/m1/s1
InChIKeyBLQKRKSHULNITJ-JAKHEFHJSA-N
MW344.34 g/mol
LogP0.85
Rot. Bonds2

About 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide

1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 166308624) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID166308624
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1ncc2c1CC(C(=O)N[C@@H]1CC[C@H](C(F)(F)F)NC1=O)CC2
InChIInChI=1S/C15H19F3N4O2/c1-22-11-6-8(2-3-9(11)7-19-22)13(23)20-10-4-5-12(15(16,17)18)21-14(10)24/h7-8,10,12H,2-6H2,1H3,(H,20,23)(H,21,24)/t8?,10-,12-/m1/s1
InChIKeyBLQKRKSHULNITJ-JAKHEFHJSA-N
XLogP0.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid
CID 154871705
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136551235
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141087
(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141173
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904115
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 166308624) is 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide is Cn1ncc2c1CC(C(=O)N[C@@H]1CC[C@H](C(F)(F)F)NC1=O)CC2.
What is the InChIKey of 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is BLQKRKSHULNITJ-JAKHEFHJSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-22-11-6-8(2-3-9(11)7-19-22)13(23)20-10-4-5-12(15(16,17)18)21-14(10)24/h7-8,10,12H,2-6H2,1H3,(H,20,23)(H,21,24)/t8?,10-,12-/m1/s1.
What are the key properties of 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 166308624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).