3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine

C17H18N6O — CID 134190123

IUPAC3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
SMILESCC(C)(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)cnc12
InChIInChI=1S/C17H18N6O/c1-17(2,3)8-12-14-13(24-23-12)7-10(9-19-14)20-16-15-11(21-22-16)5-4-6-18-15/h4-7,9H,8H2,1-3H3,(H2,20,21,22)
InChIKeyFVPBPGSSQWDONA-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.83
Rot. Bonds3

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

3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 134190123) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
PubChem CID134190123
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
SMILESCC(C)(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)cnc12
InChIInChI=1S/C17H18N6O/c1-17(2,3)8-12-14-13(24-23-12)7-10(9-19-14)20-16-15-11(21-22-16)5-4-6-18-15/h4-7,9H,8H2,1-3H3,(H2,20,21,22)
InChIKeyFVPBPGSSQWDONA-UHFFFAOYSA-N
XLogP3.83
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine (CID 134190123) is 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine is CC(C)(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)cnc12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is FVPBPGSSQWDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-17(2,3)8-12-14-13(24-23-12)7-10(9-19-14)20-16-15-11(21-22-16)5-4-6-18-15/h4-7,9H,8H2,1-3H3,(H2,20,21,22).
What are the key properties of 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine?
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 322.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 134190123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).