N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine

C25H29FN6 — CID 146271499

IUPACN-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine
SMILESCc1ccc(N2CC(C)N3Cc4cc(NC5CNCC5F)ccc4C3C2)c2nccnc12
InChIInChI=1S/C25H29FN6/c1-15-3-6-22(25-24(15)28-7-8-29-25)31-12-16(2)32-13-17-9-18(4-5-19(17)23(32)14-31)30-21-11-27-10-20(21)26/h3-9,16,20-21,23,27,30H,10-14H2,1-2H3
InChIKeyBMQNJIOLKPNBOB-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.43
Rot. Bonds3

About N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine

N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine (PubChem CID 146271499) has the molecular formula C25H29FN6 and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine.

Molecular Properties

Compound NameN-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine
PubChem CID146271499
Molecular FormulaC25H29FN6
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC NameN-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine
SMILESCc1ccc(N2CC(C)N3Cc4cc(NC5CNCC5F)ccc4C3C2)c2nccnc12
InChIInChI=1S/C25H29FN6/c1-15-3-6-22(25-24(15)28-7-8-29-25)31-12-16(2)32-13-17-9-18(4-5-19(17)23(32)14-31)30-21-11-27-10-20(21)26/h3-9,16,20-21,23,27,30H,10-14H2,1-2H3
InChIKeyBMQNJIOLKPNBOB-UHFFFAOYSA-N
XLogP3.43
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine with MolForge

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Related Compounds

5-[(4R,10bS)-8-[[(3R,4R)-4-methoxypyrrolidin-3-yl]amino]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 146271460
5-[8-[(4-methoxypyrrolidin-3-yl)amino]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 146271478
5-[(4R,11aS)-4-methyl-9-[[(3S,4S)-4-methylpyrrolidin-3-yl]amino]-1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl]quinoline-8-carbonitrile
CID 167287108
5-[4-methyl-8-(6-methyl-1,4-diazepan-1-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 153371975
5-[(4R,10bS)-8-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 146271453
5-[(4R,10bS)-8-[(6R)-6-hydroxy-1,4-diazepan-1-yl]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 146271590
5-[(4R,10bS)-8-(2,6-diazaspiro[3.3]heptan-2-yl)-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 155775638
5-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)quinoline-8-carbonitrile
CID 146271505
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one
CID 156744645
tert-butyl (3R,4R)-3-[[(4R,10bS)-2-(8-cyanoquinolin-5-yl)-4,9-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-yl]amino]-4-methoxypyrrolidine-1-carboxylate
CID 146271487
4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146271665

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine?
The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine (CID 146271499) is N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine.
What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine?
The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine is Cc1ccc(N2CC(C)N3Cc4cc(NC5CNCC5F)ccc4C3C2)c2nccnc12.
What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine?
The InChIKey is BMQNJIOLKPNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6/c1-15-3-6-22(25-24(15)28-7-8-29-25)31-12-16(2)32-13-17-9-18(4-5-19(17)23(32)14-31)30-21-11-27-10-20(21)26/h3-9,16,20-21,23,27,30H,10-14H2,1-2H3.
What are the key properties of N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine?
N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine has a molecular weight of 432.55 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropyrrolidin-3-yl)-4-methyl-2-(8-methylquinoxalin-5-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-8-amine is sourced from PubChem (CID 146271499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).