3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine

C17H14N8O — CID 134198375

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1cc(CC2N=Nc3ncc(Nc4n[nH]c5cccnc45)cc32)no1
InChIInChI=1S/C17H14N8O/c1-9-5-10(25-26-9)7-14-12-6-11(8-19-16(12)23-22-14)20-17-15-13(21-24-17)3-2-4-18-15/h2-6,8,14H,7H2,1H3,(H2,20,21,24)
InChIKeyRRTXFHOFFPTRLC-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.77
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine

3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 134198375) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID134198375
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1cc(CC2N=Nc3ncc(Nc4n[nH]c5cccnc45)cc32)no1
InChIInChI=1S/C17H14N8O/c1-9-5-10(25-26-9)7-14-12-6-11(8-19-16(12)23-22-14)20-17-15-13(21-24-17)3-2-4-18-15/h2-6,8,14H,7H2,1H3,(H2,20,21,24)
InChIKeyRRTXFHOFFPTRLC-UHFFFAOYSA-N
XLogP3.77
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine (CID 134198375) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine is Cc1cc(CC2N=Nc3ncc(Nc4n[nH]c5cccnc45)cc32)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is RRTXFHOFFPTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c1-9-5-10(25-26-9)7-14-12-6-11(8-19-16(12)23-22-14)20-17-15-13(21-24-17)3-2-4-18-15/h2-6,8,14H,7H2,1H3,(H2,20,21,24).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 346.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 134198375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).