2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol

C12H16N4O — CID 83895276

IUPAC2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
SMILESCn1nc(C2CC2)c2cc(C(N)CO)cnc21
InChIInChI=1S/C12H16N4O/c1-16-12-9(11(15-16)7-2-3-7)4-8(5-14-12)10(13)6-17/h4-5,7,10,17H,2-3,6,13H2,1H3
InChIKeyWRAFSMQKWCXTNT-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol

2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol (PubChem CID 83895276) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
PubChem CID83895276
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
SMILESCn1nc(C2CC2)c2cc(C(N)CO)cnc21
InChIInChI=1S/C12H16N4O/c1-16-12-9(11(15-16)7-2-3-7)4-8(5-14-12)10(13)6-17/h4-5,7,10,17H,2-3,6,13H2,1H3
InChIKeyWRAFSMQKWCXTNT-UHFFFAOYSA-N
XLogP0.84
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bemitradine
CID 55784
(S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-phenylethanol (11)
CID 86765994
(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
CID 86765993
(2S)-3-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15667131
(3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)methanol
CID 24905344
(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
CID 59534284
1-[(4-aminocyclohexyl)methyl]-N-(2-methoxyethyl)-3-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212421
4-[[6-(Methylamino)-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexan-1-ol
CID 68212760
2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}butan-1-ol
CID 16033903
2-(7-amino-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 53322964
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
[4-[4-[3-Ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]phenyl]methanol
CID 137641548

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol?
The IUPAC name of 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol (CID 83895276) is 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol is Cn1nc(C2CC2)c2cc(C(N)CO)cnc21.
What is the InChIKey of 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol?
The InChIKey is WRAFSMQKWCXTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12-9(11(15-16)7-2-3-7)4-8(5-14-12)10(13)6-17/h4-5,7,10,17H,2-3,6,13H2,1H3.
What are the key properties of 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol?
2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol has a molecular weight of 232.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol is sourced from PubChem (CID 83895276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).