[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol

C18H21N5O — CID 13138541

IUPAC[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol
SMILESNc1[nH]nc2nc(N3CCCC(CO)C3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H21N5O/c19-17-16-14(13-6-2-1-3-7-13)9-15(20-18(16)22-21-17)23-8-4-5-12(10-23)11-24/h1-3,6-7,9,12,24H,4-5,8,10-11H2,(H3,19,20,21,22)
InChIKeyRFRGMHDZPGNMLQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds3

About [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol

[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol (PubChem CID 13138541) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol
PubChem CID13138541
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol
SMILESNc1[nH]nc2nc(N3CCCC(CO)C3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H21N5O/c19-17-16-14(13-6-2-1-3-7-13)9-15(20-18(16)22-21-17)23-8-4-5-12(10-23)11-24/h1-3,6-7,9,12,24H,4-5,8,10-11H2,(H3,19,20,21,22)
InChIKeyRFRGMHDZPGNMLQ-UHFFFAOYSA-N
XLogP2.42
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
CID 47060288
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083727
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
[1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-3-yl]methanol
CID 43590236
[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66903855
2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802916

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol (CID 13138541) is [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol is Nc1[nH]nc2nc(N3CCCC(CO)C3)cc(-c3ccccc3)c12.
What is the InChIKey of [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol?
The InChIKey is RFRGMHDZPGNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-17-16-14(13-6-2-1-3-7-13)9-15(20-18(16)22-21-17)23-8-4-5-12(10-23)11-24/h1-3,6-7,9,12,24H,4-5,8,10-11H2,(H3,19,20,21,22).
What are the key properties of [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol?
[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 13138541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).