[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C26H26N8O — CID 3773176

IUPAC[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3nccn3Cn3nnc4ccccc43)CC2)cnn1-c1ccccc1
InChIInChI=1S/C26H26N8O/c1-19-22(17-28-34(19)21-7-3-2-4-8-21)26(35)31-14-11-20(12-15-31)25-27-13-16-32(25)18-33-24-10-6-5-9-23(24)29-30-33/h2-10,13,16-17,20H,11-12,14-15,18H2,1H3
InChIKeyAXVZNMGPFJHIHF-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.65
Rot. Bonds5

About [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 3773176) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID3773176
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3nccn3Cn3nnc4ccccc43)CC2)cnn1-c1ccccc1
InChIInChI=1S/C26H26N8O/c1-19-22(17-28-34(19)21-7-3-2-4-8-21)26(35)31-14-11-20(12-15-31)25-27-13-16-32(25)18-33-24-10-6-5-9-23(24)29-30-33/h2-10,13,16-17,20H,11-12,14-15,18H2,1H3
InChIKeyAXVZNMGPFJHIHF-UHFFFAOYSA-N
XLogP3.65
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3677458
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3583911
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloro-4-methoxythiophen-3-yl)methanone
CID 3776186
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 4990986
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 3685428
3-[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3792150
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
N-[1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 3350217
1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 3603099
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
4-ethyl-2-(2-methoxyethyl)-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 72717136

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 3773176) is [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCC(c3nccn3Cn3nnc4ccccc43)CC2)cnn1-c1ccccc1.
What is the InChIKey of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is AXVZNMGPFJHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-19-22(17-28-34(19)21-7-3-2-4-8-21)26(35)31-14-11-20(12-15-31)25-27-13-16-32(25)18-33-24-10-6-5-9-23(24)29-30-33/h2-10,13,16-17,20H,11-12,14-15,18H2,1H3.
What are the key properties of [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 466.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 3773176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).