1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine

C19H22N4O — CID 167784759

IUPAC1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2nccc(NC[C@H]3CC[C@@H](c4ccccc4)O3)c12
InChIInChI=1S/C19H22N4O/c1-13-18-16(10-11-20-19(18)23(2)22-13)21-12-15-8-9-17(24-15)14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12H2,1-2H3,(H,20,21)/t15-,17+/m1/s1
InChIKeyOQXLPOVNDFCJFR-WBVHZDCISA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds4

About 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine

1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 167784759) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID167784759
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2nccc(NC[C@H]3CC[C@@H](c4ccccc4)O3)c12
InChIInChI=1S/C19H22N4O/c1-13-18-16(10-11-20-19(18)23(2)22-13)21-12-15-8-9-17(24-15)14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12H2,1-2H3,(H,20,21)/t15-,17+/m1/s1
InChIKeyOQXLPOVNDFCJFR-WBVHZDCISA-N
XLogP3.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine (CID 167784759) is 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine is Cc1nn(C)c2nccc(NC[C@H]3CC[C@@H](c4ccccc4)O3)c12.
What is the InChIKey of 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is OQXLPOVNDFCJFR-WBVHZDCISA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-18-16(10-11-20-19(18)23(2)22-13)21-12-15-8-9-17(24-15)14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12H2,1-2H3,(H,20,21)/t15-,17+/m1/s1.
What are the key properties of 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 167784759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).