1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one

C19H21N5O3 — CID 90653167

IUPAC1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C19H21N5O3/c1-27-19-17(20-15-4-2-3-5-16(15)21-19)6-7-18(26)23-8-9-24-14(11-23)10-13(12-25)22-24/h2-5,10,25H,6-9,11-12H2,1H3
InChIKeyKEAINUHVBGWUPN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one

1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one (PubChem CID 90653167) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
PubChem CID90653167
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C19H21N5O3/c1-27-19-17(20-15-4-2-3-5-16(15)21-19)6-7-18(26)23-8-9-24-14(11-23)10-13(12-25)22-24/h2-5,10,25H,6-9,11-12H2,1H3
InChIKeyKEAINUHVBGWUPN-UHFFFAOYSA-N
XLogP1.30
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6461182
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-phenoxybutan-1-one
CID 90651802
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-quinazolin-4-yloxyethanone
CID 91765869
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-5-phenylpentane-1,5-dione
CID 90653304
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-pyrrol-1-ylpropan-1-one
CID 90653919
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-phenylmethoxyethanone
CID 91785016
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 92625835
3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 70777050
1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 91837017
3-(benzenesulfonyl)-1-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 91761547
1-[(3aS,9aR)-1,2,3,3a,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocin-4-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 110136210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one (CID 90653167) is 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one is COc1nc2ccccc2nc1CCC(=O)N1CCn2nc(CO)cc2C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The InChIKey is KEAINUHVBGWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-19-17(20-15-4-2-3-5-16(15)21-19)6-7-18(26)23-8-9-24-14(11-23)10-13(12-25)22-24/h2-5,10,25H,6-9,11-12H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one has a molecular weight of 367.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one is sourced from PubChem (CID 90653167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).