N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine

C25H24N6O — CID 134191763

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
SMILESCC1(C)OC(C)(C)c2cn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21
InChIInChI=1S/C25H24N6O/c1-24(2)18-13-31(14-19(18)25(3,4)32-24)23-17-8-7-16(12-15(17)9-11-27-23)28-22-21-20(29-30-22)6-5-10-26-21/h5-14H,1-4H3,(H2,28,29,30)
InChIKeyCKVSTVHTIIHFKB-UHFFFAOYSA-N
MW424.51 g/mol
LogP5.54
Rot. Bonds3

About N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine (PubChem CID 134191763) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
PubChem CID134191763
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
SMILESCC1(C)OC(C)(C)c2cn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21
InChIInChI=1S/C25H24N6O/c1-24(2)18-13-31(14-19(18)25(3,4)32-24)23-17-8-7-16(12-15(17)9-11-27-23)28-22-21-20(29-30-22)6-5-10-26-21/h5-14H,1-4H3,(H2,28,29,30)
InChIKeyCKVSTVHTIIHFKB-UHFFFAOYSA-N
XLogP5.54
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine (CID 134191763) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine is CC1(C)OC(C)(C)c2cn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?
The InChIKey is CKVSTVHTIIHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-24(2)18-13-31(14-19(18)25(3,4)32-24)23-17-8-7-16(12-15(17)9-11-27-23)28-22-21-20(29-30-22)6-5-10-26-21/h5-14H,1-4H3,(H2,28,29,30).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine has a molecular weight of 424.51 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).