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

C19H18N6 — CID 134191541

IUPAC1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
SMILESc1cnc2c(Nc3ccc4c(NC5CCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H18N6/c1-3-13(4-1)22-18-15-7-6-14(11-12(15)8-10-21-18)23-19-17-16(24-25-19)5-2-9-20-17/h2,5-11,13H,1,3-4H2,(H,21,22)(H2,23,24,25)
InChIKeyWUSHHFGJOLSBQV-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.21
Rot. Bonds4

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

1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine (PubChem CID 134191541) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine.

Molecular Properties

Compound Name1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
PubChem CID134191541
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
SMILESc1cnc2c(Nc3ccc4c(NC5CCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H18N6/c1-3-13(4-1)22-18-15-7-6-14(11-12(15)8-10-21-18)23-19-17-16(24-25-19)5-2-9-20-17/h2,5-11,13H,1,3-4H2,(H,21,22)(H2,23,24,25)
InChIKeyWUSHHFGJOLSBQV-UHFFFAOYSA-N
XLogP4.21
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The IUPAC name of 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine (CID 134191541) is 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine.
What is the SMILES notation for 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The canonical SMILES for 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine is c1cnc2c(Nc3ccc4c(NC5CCC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
The InChIKey is WUSHHFGJOLSBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-3-13(4-1)22-18-15-7-6-14(11-12(15)8-10-21-18)23-19-17-16(24-25-19)5-2-9-20-17/h2,5-11,13H,1,3-4H2,(H,21,22)(H2,23,24,25).
What are the key properties of 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine?
1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine has a molecular weight of 330.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine is sourced from PubChem (CID 134191541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).