[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine

C24H31N7 — CID 170777906

IUPAC[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine
SMILESCN1CCN(c2cccc3nc(-c4cn(C5CC(CN)C5)nc4C4CC4)cnc23)CC1
InChIInChI=1S/C24H31N7/c1-29-7-9-30(10-8-29)22-4-2-3-20-24(22)26-14-21(27-20)19-15-31(18-11-16(12-18)13-25)28-23(19)17-5-6-17/h2-4,14-18H,5-13,25H2,1H3
InChIKeyQHNRUZNNYXMLNB-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.03
Rot. Bonds5

About [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine

[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine (PubChem CID 170777906) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine
PubChem CID170777906
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine
SMILESCN1CCN(c2cccc3nc(-c4cn(C5CC(CN)C5)nc4C4CC4)cnc23)CC1
InChIInChI=1S/C24H31N7/c1-29-7-9-30(10-8-29)22-4-2-3-20-24(22)26-14-21(27-20)19-15-31(18-11-16(12-18)13-25)28-23(19)17-5-6-17/h2-4,14-18H,5-13,25H2,1H3
InChIKeyQHNRUZNNYXMLNB-UHFFFAOYSA-N
XLogP3.03
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine?
The IUPAC name of [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine (CID 170777906) is [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine is CN1CCN(c2cccc3nc(-c4cn(C5CC(CN)C5)nc4C4CC4)cnc23)CC1.
What is the InChIKey of [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine?
The InChIKey is QHNRUZNNYXMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-29-7-9-30(10-8-29)22-4-2-3-20-24(22)26-14-21(27-20)19-15-31(18-11-16(12-18)13-25)28-23(19)17-5-6-17/h2-4,14-18H,5-13,25H2,1H3.
What are the key properties of [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine?
[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine has a molecular weight of 417.56 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 170777906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).