1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C20H17N7 — CID 134191511

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1
InChIInChI=1S/C20H17N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyRAFVQPVOIRJYSQ-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.05
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191511) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191511
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1
InChIInChI=1S/C20H17N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyRAFVQPVOIRJYSQ-UHFFFAOYSA-N
XLogP4.05
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191511) is 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is RAFVQPVOIRJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 355.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).