N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine

C24H23N7O — CID 134191574

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
SMILESCC1(C)OC(C)(C)c2nn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21
InChIInChI=1S/C24H23N7O/c1-23(2)17-13-31(30-20(17)24(3,4)32-23)22-16-8-7-15(12-14(16)9-11-26-22)27-21-19-18(28-29-21)6-5-10-25-19/h5-13H,1-4H3,(H2,27,28,29)
InChIKeyQCSSIJMBUOABOM-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.94
Rot. Bonds3

About N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine (PubChem CID 134191574) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
PubChem CID134191574
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
SMILESCC1(C)OC(C)(C)c2nn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21
InChIInChI=1S/C24H23N7O/c1-23(2)17-13-31(30-20(17)24(3,4)32-23)22-16-8-7-15(12-14(16)9-11-26-22)27-21-19-18(28-29-21)6-5-10-25-19/h5-13H,1-4H3,(H2,27,28,29)
InChIKeyQCSSIJMBUOABOM-UHFFFAOYSA-N
XLogP4.94
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine (CID 134191574) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine is CC1(C)OC(C)(C)c2nn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?
The InChIKey is QCSSIJMBUOABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-23(2)17-13-31(30-20(17)24(3,4)32-23)22-16-8-7-15(12-14(16)9-11-26-22)27-21-19-18(28-29-21)6-5-10-25-19/h5-13H,1-4H3,(H2,27,28,29).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine has a molecular weight of 425.50 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).