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

C25H25N7O — CID 134197877

IUPAC3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
SMILESCc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cc3c(n2)C(C)(C)OC3(C)C)n1
InChIInChI=1S/C25H25N7O/c1-14-11-15-12-16(28-22-20-19(29-30-22)7-6-10-26-20)8-9-17(15)23(27-14)32-13-18-21(31-32)25(4,5)33-24(18,2)3/h6-13H,1-5H3,(H2,28,29,30)
InChIKeyNVDMQKIQYVQECV-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.24
Rot. Bonds3

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

3-methyl-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 134197877) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-methyl-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 Name3-methyl-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 CID134197877
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine
SMILESCc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cc3c(n2)C(C)(C)OC3(C)C)n1
InChIInChI=1S/C25H25N7O/c1-14-11-15-12-16(28-22-20-19(29-30-22)7-6-10-26-20)8-9-17(15)23(27-14)32-13-18-21(31-32)25(4,5)33-24(18,2)3/h6-13H,1-5H3,(H2,28,29,30)
InChIKeyNVDMQKIQYVQECV-UHFFFAOYSA-N
XLogP5.24
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-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 3-methyl-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 134197877) is 3-methyl-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 3-methyl-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 3-methyl-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 Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cc3c(n2)C(C)(C)OC3(C)C)n1.
What is the InChIKey of 3-methyl-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 NVDMQKIQYVQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-14-11-15-12-16(28-22-20-19(29-30-22)7-6-10-26-20)8-9-17(15)23(27-14)32-13-18-21(31-32)25(4,5)33-24(18,2)3/h6-13H,1-5H3,(H2,28,29,30).
What are the key properties of 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine?
3-methyl-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 439.52 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-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 134197877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).