[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C20H30N6O — CID 46992938

IUPAC[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1
InChIInChI=1S/C20H30N6O/c1-14(2)10-16-13-26(24-21-16)12-15-6-5-9-25(11-15)20(27)19-17-7-3-4-8-18(17)22-23-19/h13-15H,3-12H2,1-2H3,(H,22,23)
InChIKeyVZYOSOFMASGDRX-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.63
Rot. Bonds5

About [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 46992938) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID46992938
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1
InChIInChI=1S/C20H30N6O/c1-14(2)10-16-13-26(24-21-16)12-15-6-5-9-25(11-15)20(27)19-17-7-3-4-8-18(17)22-23-19/h13-15H,3-12H2,1-2H3,(H,22,23)
InChIKeyVZYOSOFMASGDRX-UHFFFAOYSA-N
XLogP2.63
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 46995345
(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986027
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46987852
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propylpyrazolidin-3-yl)methanone
CID 75257075
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 45210866
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72872300
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 46992938) is [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CC(C)Cc1cn(CC2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1.
What is the InChIKey of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is VZYOSOFMASGDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)10-16-13-26(24-21-16)12-15-6-5-9-25(11-15)20(27)19-17-7-3-4-8-18(17)22-23-19/h13-15H,3-12H2,1-2H3,(H,22,23).
What are the key properties of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 46992938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).