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

C19H15N7 — CID 134191580

IUPAC1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1
InChIInChI=1S/C19H15N7/c1-12-7-10-26(25-12)19-15-5-4-14(11-13(15)6-9-21-19)22-18-17-16(23-24-18)3-2-8-20-17/h2-11H,1H3,(H2,22,23,24)
InChIKeyDCBSDKMIUQJZBQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.74
Rot. Bonds3

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

1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191580) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191580
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1
InChIInChI=1S/C19H15N7/c1-12-7-10-26(25-12)19-15-5-4-14(11-13(15)6-9-21-19)22-18-17-16(23-24-18)3-2-8-20-17/h2-11H,1H3,(H2,22,23,24)
InChIKeyDCBSDKMIUQJZBQ-UHFFFAOYSA-N
XLogP3.74
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191580) is 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is Cc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.
What is the InChIKey of 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is DCBSDKMIUQJZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-12-7-10-26(25-12)19-15-5-4-14(11-13(15)6-9-21-19)22-18-17-16(23-24-18)3-2-8-20-17/h2-11H,1H3,(H2,22,23,24).
What are the key properties of 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 341.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).