N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine

C16H13N9O — CID 134198108

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESCc1cc(Cn2cc3ncc(Nc4[nH]nc5nccnc45)cc3n2)no1
InChIInChI=1S/C16H13N9O/c1-9-4-11(24-26-9)7-25-8-13-12(23-25)5-10(6-19-13)20-16-14-15(21-22-16)18-3-2-17-14/h2-6,8H,7H2,1H3,(H2,18,20,21,22)
InChIKeyPZEYMAGJYKKWDJ-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.19
Rot. Bonds4

About N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine

N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 134198108) has the molecular formula C16H13N9O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID134198108
Molecular FormulaC16H13N9O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESCc1cc(Cn2cc3ncc(Nc4[nH]nc5nccnc45)cc3n2)no1
InChIInChI=1S/C16H13N9O/c1-9-4-11(24-26-9)7-25-8-13-12(23-25)5-10(6-19-13)20-16-14-15(21-22-16)18-3-2-17-14/h2-6,8H,7H2,1H3,(H2,18,20,21,22)
InChIKeyPZEYMAGJYKKWDJ-UHFFFAOYSA-N
XLogP2.19
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine (CID 134198108) is N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine is Cc1cc(Cn2cc3ncc(Nc4[nH]nc5nccnc45)cc3n2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is PZEYMAGJYKKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N9O/c1-9-4-11(24-26-9)7-25-8-13-12(23-25)5-10(6-19-13)20-16-14-15(21-22-16)18-3-2-17-14/h2-6,8H,7H2,1H3,(H2,18,20,21,22).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 347.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 134198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).