(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride

C15H18Cl2N4O2 — CID 119482802

IUPAC(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1
InChIInChI=1S/C15H16N4O2.2ClH/c16-12-4-7-19(10-12)15(20)11-2-1-3-13(8-11)21-14-9-17-5-6-18-14;;/h1-3,5-6,8-9,12H,4,7,10,16H2;2*1H
InChIKeyFWWQWANXYQJIGW-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.29
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride

(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride (PubChem CID 119482802) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
PubChem CID119482802
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1
InChIInChI=1S/C15H16N4O2.2ClH/c16-12-4-7-19(10-12)15(20)11-2-1-3-13(8-11)21-14-9-17-5-6-18-14;;/h1-3,5-6,8-9,12H,4,7,10,16H2;2*1H
InChIKeyFWWQWANXYQJIGW-UHFFFAOYSA-N
XLogP2.29
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
N-(2-aminoethyl)-1-(3-pyrazin-2-yloxybenzoyl)piperidine-3-carboxamide
CID 119480783
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 166340156
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride (CID 119482802) is (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride?
The InChIKey is FWWQWANXYQJIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.2ClH/c16-12-4-7-19(10-12)15(20)11-2-1-3-13(8-11)21-14-9-17-5-6-18-14;;/h1-3,5-6,8-9,12H,4,7,10,16H2;2*1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride?
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride has a molecular weight of 357.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride is sourced from PubChem (CID 119482802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).