[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C24H32N4O — CID 45163549

IUPAC[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCC(c3ccccc3)CC1)C2
InChIInChI=1S/C24H32N4O/c1-26-22-10-9-20(17-21(22)23(25-26)24(29)28-13-5-6-14-28)27-15-11-19(12-16-27)18-7-3-2-4-8-18/h2-4,7-8,19-20H,5-6,9-17H2,1H3
InChIKeyZQEURTOIGNNRGM-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.39
Rot. Bonds3

About [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45163549) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID45163549
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCC(c3ccccc3)CC1)C2
InChIInChI=1S/C24H32N4O/c1-26-22-10-9-20(17-21(22)23(25-26)24(29)28-13-5-6-14-28)27-15-11-19(12-16-27)18-7-3-2-4-8-18/h2-4,7-8,19-20H,5-6,9-17H2,1H3
InChIKeyZQEURTOIGNNRGM-UHFFFAOYSA-N
XLogP3.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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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
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161837
[(5R)-5-(4-benzylpiperidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 26221601
(5S)-5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26223599
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164639
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
N-[(2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165304
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26140211
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162379
[5-(4-methoxypiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 134573901

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 45163549) is [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCC(c3ccccc3)CC1)C2.
What is the InChIKey of [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZQEURTOIGNNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-26-22-10-9-20(17-21(22)23(25-26)24(29)28-13-5-6-14-28)27-15-11-19(12-16-27)18-7-3-2-4-8-18/h2-4,7-8,19-20H,5-6,9-17H2,1H3.
What are the key properties of [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 392.55 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45163549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).