[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C24H33N5O2 — CID 45161837

IUPAC[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCCC2)c2c1CCC(N1CCN(c3ccccc3O)CC1)C2
InChIInChI=1S/C24H33N5O2/c1-26-20-10-9-18(17-19(20)23(25-26)24(31)29-11-5-2-6-12-29)27-13-15-28(16-14-27)21-7-3-4-8-22(21)30/h3-4,7-8,18,30H,2,5-6,9-17H2,1H3
InChIKeyVRSKEKZLTNVNKD-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.43
Rot. Bonds3

About [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 45161837) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID45161837
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCCC2)c2c1CCC(N1CCN(c3ccccc3O)CC1)C2
InChIInChI=1S/C24H33N5O2/c1-26-20-10-9-18(17-19(20)23(25-26)24(31)29-11-5-2-6-12-29)27-13-15-28(16-14-27)21-7-3-4-8-22(21)30/h3-4,7-8,18,30H,2,5-6,9-17H2,1H3
InChIKeyVRSKEKZLTNVNKD-UHFFFAOYSA-N
XLogP2.43
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163549
N-(furan-2-ylmethyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164396
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26140211
[(5R)-5-(4-benzylpiperidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 26221601
[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45160335
N-benzyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160857
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
(5S)-5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26223599
(1-ethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazol-3-yl)-piperidin-1-ylmethanone
CID 45164151

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 45161837) is [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is Cn1nc(C(=O)N2CCCCC2)c2c1CCC(N1CCN(c3ccccc3O)CC1)C2.
What is the InChIKey of [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is VRSKEKZLTNVNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-26-20-10-9-18(17-19(20)23(25-26)24(31)29-11-5-2-6-12-29)27-13-15-28(16-14-27)21-7-3-4-8-22(21)30/h3-4,7-8,18,30H,2,5-6,9-17H2,1H3.
What are the key properties of [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 423.56 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45161837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).