[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone

C21H26FN5O — CID 56883334

IUPAC[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCn2nc(CN3CCc4ccc(F)cc4C3)cc2C1
InChIInChI=1S/C21H26FN5O/c22-17-4-3-15-5-7-25(12-16(15)10-17)13-18-11-19-14-26(8-9-27(19)24-18)21(28)20-2-1-6-23-20/h3-4,10-11,20,23H,1-2,5-9,12-14H2/t20-/m0/s1
InChIKeyGVIUMLAVOAGQBA-FQEVSTJZSA-N
MW383.47 g/mol
LogP1.67
Rot. Bonds3

About [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone

[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 56883334) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID56883334
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCn2nc(CN3CCc4ccc(F)cc4C3)cc2C1
InChIInChI=1S/C21H26FN5O/c22-17-4-3-15-5-7-25(12-16(15)10-17)13-18-11-19-14-26(8-9-27(19)24-18)21(28)20-2-1-6-23-20/h3-4,10-11,20,23H,1-2,5-9,12-14H2/t20-/m0/s1
InChIKeyGVIUMLAVOAGQBA-FQEVSTJZSA-N
XLogP1.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

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CID 56900935
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-piperidin-2-ylmethanone
CID 119838880
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
(4-fluorophenyl)-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]methanone
CID 50852464
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417

Frequently Asked Questions

What is the IUPAC name of [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 56883334) is [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CCn2nc(CN3CCc4ccc(F)cc4C3)cc2C1.
What is the InChIKey of [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GVIUMLAVOAGQBA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-17-4-3-15-5-7-25(12-16(15)10-17)13-18-11-19-14-26(8-9-27(19)24-18)21(28)20-2-1-6-23-20/h3-4,10-11,20,23H,1-2,5-9,12-14H2/t20-/m0/s1.
What are the key properties of [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 56883334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).