1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine

C19H20N6 — CID 134191531

IUPAC1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
SMILESCCN(CC)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20N6/c1-3-25(4-2)19-15-8-7-14(12-13(15)9-11-21-19)22-18-17-16(23-24-18)6-5-10-20-17/h5-12H,3-4H2,1-2H3,(H2,22,23,24)
InChIKeyONRHJGUSYZMWML-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.10
Rot. Bonds5

About 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine

1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine (PubChem CID 134191531) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
PubChem CID134191531
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
SMILESCCN(CC)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20N6/c1-3-25(4-2)19-15-8-7-14(12-13(15)9-11-21-19)22-18-17-16(23-24-18)6-5-10-20-17/h5-12H,3-4H2,1-2H3,(H2,22,23,24)
InChIKeyONRHJGUSYZMWML-UHFFFAOYSA-N
XLogP4.10
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The IUPAC name of 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine (CID 134191531) is 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The canonical SMILES for 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine is CCN(CC)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The InChIKey is ONRHJGUSYZMWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-25(4-2)19-15-8-7-14(12-13(15)9-11-21-19)22-18-17-16(23-24-18)6-5-10-20-17/h5-12H,3-4H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine has a molecular weight of 332.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine is sourced from PubChem (CID 134191531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).