[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C26H30N4O — CID 155554287

IUPAC[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c2c(nn1-c1ccccc1)CCC(NCc1ccccc1)C2)N1CCCCC1
InChIInChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)28-30(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
InChIKeyONFVSJZWPOBFCT-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.15
Rot. Bonds5

About [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 155554287) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID155554287
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c2c(nn1-c1ccccc1)CCC(NCc1ccccc1)C2)N1CCCCC1
InChIInChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)28-30(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
InChIKeyONFVSJZWPOBFCT-UHFFFAOYSA-N
XLogP4.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(benzylamino)-2-phenyl-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

4-[3-[(3S)-3-(2-phenylethylamino)piperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-2-yl]benzamide
CID 146597631
[5-(oxan-4-ylmethylamino)-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641807
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740
[5-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 155552895
azepan-1-yl-[1-ethyl-5-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165322
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
3-(benzylamino)cyclopentan-1-one
CID 59118330
[(5S)-1-ethyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26227307
7-(benzylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 59987037
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622795
[(5S)-5-[(3-fluorophenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26134232

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 155554287) is [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is O=C(c1c2c(nn1-c1ccccc1)CCC(NCc1ccccc1)C2)N1CCCCC1.
What is the InChIKey of [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is ONFVSJZWPOBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)28-30(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2.
What are the key properties of [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 414.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155554287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).