[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone

C27H34N6O — CID 91890368

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1
InChIInChI=1S/C27H34N6O/c1-20-6-2-5-9-24(20)30-16-18-32(19-17-30)27(34)21-10-13-31(14-11-21)26-25-22-7-3-4-8-23(22)29-33(25)15-12-28-26/h2,5-6,9,12,15,21H,3-4,7-8,10-11,13-14,16-19H2,1H3
InChIKeyLFPDQPQIOQEAKQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.48
Rot. Bonds3

About [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone (PubChem CID 91890368) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
PubChem CID91890368
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1
InChIInChI=1S/C27H34N6O/c1-20-6-2-5-9-24(20)30-16-18-32(19-17-30)27(34)21-10-13-31(14-11-21)26-25-22-7-3-4-8-23(22)29-33(25)15-12-28-26/h2,5-6,9,12,15,21H,3-4,7-8,10-11,13-14,16-19H2,1H3
InChIKeyLFPDQPQIOQEAKQ-UHFFFAOYSA-N
XLogP3.48
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890367
1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
CID 91817893
(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91631786
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
(E)-3-(5-methylfuran-2-yl)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]prop-2-en-1-one
CID 91890483
(E)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 91817895
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]methanone
CID 50840078
(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125129193
(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127509
[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50840215
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332
3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91817904

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone (CID 91890368) is [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone is Cc1ccccc1N1CCN(C(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The InChIKey is LFPDQPQIOQEAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-20-6-2-5-9-24(20)30-16-18-32(19-17-30)27(34)21-10-13-31(14-11-21)26-25-22-7-3-4-8-23(22)29-33(25)15-12-28-26/h2,5-6,9,12,15,21H,3-4,7-8,10-11,13-14,16-19H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone has a molecular weight of 458.61 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 91890368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).