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

C20H21N7 — CID 134191550

IUPAC1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H21N7/c1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18/h2-8,13H,9-12H2,1H3,(H2,23,24,25)
InChIKeyHMRWFNIGRULYLC-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.00
Rot. Bonds3

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

1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191550) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191550
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H21N7/c1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18/h2-8,13H,9-12H2,1H3,(H2,23,24,25)
InChIKeyHMRWFNIGRULYLC-UHFFFAOYSA-N
XLogP3.00
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191550) is 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is HMRWFNIGRULYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-26-9-11-27(12-10-26)20-16-5-4-15(13-14(16)6-8-22-20)23-19-18-17(24-25-19)3-2-7-21-18/h2-8,13H,9-12H2,1H3,(H2,23,24,25).
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 359.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).