1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C18H22N6O — CID 53192626

IUPAC1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H22N6O/c1-12(2)24-11-19-22-17(24)13-7-9-23(10-8-13)18(25)16-14-5-3-4-6-15(14)20-21-16/h3-6,11-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyBDBAEAVSSNVQGH-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.76
Rot. Bonds3

About 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192626) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192626
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H22N6O/c1-12(2)24-11-19-22-17(24)13-7-9-23(10-8-13)18(25)16-14-5-3-4-6-15(14)20-21-16/h3-6,11-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyBDBAEAVSSNVQGH-UHFFFAOYSA-N
XLogP2.76
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
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CID 94177443
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71876791
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192626) is 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CC(C)n1cnnc1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BDBAEAVSSNVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(2)24-11-19-22-17(24)13-7-9-23(10-8-13)18(25)16-14-5-3-4-6-15(14)20-21-16/h3-6,11-13H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).