5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine

C23H29N7O — CID 163216435

IUPAC5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn([C@H]4CCN(C)C4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H29N7O/c1-15-8-16(9-17-12-28(2)7-5-20(15)17)21-11-25-22(24)23(27-21)31-19-10-26-30(14-19)18-4-6-29(3)13-18/h8-11,14,18H,4-7,12-13H2,1-3H3,(H2,24,25)/t18-/m0/s1
InChIKeySBYALKBNVKOGMI-SFHVURJKSA-N
MW419.53 g/mol
LogP2.89
Rot. Bonds4

About 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 163216435) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID163216435
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn([C@H]4CCN(C)C4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H29N7O/c1-15-8-16(9-17-12-28(2)7-5-20(15)17)21-11-25-22(24)23(27-21)31-19-10-26-30(14-19)18-4-6-29(3)13-18/h8-11,14,18H,4-7,12-13H2,1-3H3,(H2,24,25)/t18-/m0/s1
InChIKeySBYALKBNVKOGMI-SFHVURJKSA-N
XLogP2.89
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine?
The IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine (CID 163216435) is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine.
What is the SMILES notation for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine?
The canonical SMILES for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn([C@H]4CCN(C)C4)c3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine?
The InChIKey is SBYALKBNVKOGMI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N7O/c1-15-8-16(9-17-12-28(2)7-5-20(15)17)21-11-25-22(24)23(27-21)31-19-10-26-30(14-19)18-4-6-29(3)13-18/h8-11,14,18H,4-7,12-13H2,1-3H3,(H2,24,25)/t18-/m0/s1.
What are the key properties of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine?
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 419.53 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 163216435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).