(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole

C15H15FN4 — CID 175747980

IUPAC(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
SMILESFc1cnc(N2CCN3c4ccccc4C[C@H]3C2)nc1
InChIInChI=1S/C15H15FN4/c16-12-8-17-15(18-9-12)19-5-6-20-13(10-19)7-11-3-1-2-4-14(11)20/h1-4,8-9,13H,5-7,10H2/t13-/m0/s1
InChIKeyGXUSZKLJTBJQAE-ZDUSSCGKSA-N
MW270.31 g/mol
LogP1.87
Rot. Bonds1

About (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole

(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole (PubChem CID 175747980) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
PubChem CID175747980
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
SMILESFc1cnc(N2CCN3c4ccccc4C[C@H]3C2)nc1
InChIInChI=1S/C15H15FN4/c16-12-8-17-15(18-9-12)19-5-6-20-13(10-19)7-11-3-1-2-4-14(11)20/h1-4,8-9,13H,5-7,10H2/t13-/m0/s1
InChIKeyGXUSZKLJTBJQAE-ZDUSSCGKSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine
CID 171327142
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161769
2-[(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161798
(7R,9aS)-2-(5-fluoropyrimidin-2-yl)-7-(2-phenylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 22940603
N-[(4aS)-3-(5-fluoropyrimidin-2-yl)-6-oxo-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-8-yl]-2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetamide
CID 167142824
N-[(4aS)-3-(5-fluoropyrimidin-2-yl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetamide
CID 167142912
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-2-hydroxyacetamide
CID 175267761
morpholin-4-yl-(3-pyrimidin-2-yl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepin-6-yl)methanone
CID 67001525
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-(5-fluoropyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 104606317

Frequently Asked Questions

What is the IUPAC name of (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole (CID 175747980) is (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole is Fc1cnc(N2CCN3c4ccccc4C[C@H]3C2)nc1.
What is the InChIKey of (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The InChIKey is GXUSZKLJTBJQAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN4/c16-12-8-17-15(18-9-12)19-5-6-20-13(10-19)7-11-3-1-2-4-14(11)20/h1-4,8-9,13H,5-7,10H2/t13-/m0/s1.
What are the key properties of (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
(10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole has a molecular weight of 270.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(5-fluoropyrimidin-2-yl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 175747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).