(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C25H29N5O2 — CID 125126211

IUPAC(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1
InChIInChI=1S/C25H29N5O2/c1-32-21-9-4-8-19(14-21)22-15-23-25(31)27-16-24(30(23)28-22)26-11-5-12-29-13-10-18-6-2-3-7-20(18)17-29/h2-4,6-9,14-15,24,26H,5,10-13,16-17H2,1H3,(H,27,31)/t24-/m1/s1
InChIKeyDKHDZFBTKLPXKU-XMMPIXPASA-N
MW431.54 g/mol
LogP2.84
Rot. Bonds7

About (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125126211) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125126211
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1
InChIInChI=1S/C25H29N5O2/c1-32-21-9-4-8-19(14-21)22-15-23-25(31)27-16-24(30(23)28-22)26-11-5-12-29-13-10-18-6-2-3-7-20(18)17-29/h2-4,6-9,14-15,24,26H,5,10-13,16-17H2,1H3,(H,27,31)/t24-/m1/s1
InChIKeyDKHDZFBTKLPXKU-XMMPIXPASA-N
XLogP2.84
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127361
2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888567
(7S)-7-[(3,4-dimethoxyphenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128249
(7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128702
2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888466
(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127113
3,4-dihydro-1H-isoquinolin-2-yl-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42758731
(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127238
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methoxybenzenesulfonamide;hydrochloride
CID 21092261
(7S)-7-[(3-bromophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741825
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125126211) is (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1.
What is the InChIKey of (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DKHDZFBTKLPXKU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N5O2/c1-32-21-9-4-8-19(14-21)22-15-23-25(31)27-16-24(30(23)28-22)26-11-5-12-29-13-10-18-6-2-3-7-20(18)17-29/h2-4,6-9,14-15,24,26H,5,10-13,16-17H2,1H3,(H,27,31)/t24-/m1/s1.
What are the key properties of (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 431.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125126211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).