(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen

C20H34N6 — CID 158919449

IUPAC(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
SMILESCC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H26N6.4H2/c1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19;;;;/h3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25);4*1H/t14-,16?;;;;/m1..../s1
InChIKeyJHQPUGYGZVWSAR-KUYKEPMXSA-N
MW358.53 g/mol
LogP4.20
Rot. Bonds4

About (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen

(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen (PubChem CID 158919449) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
PubChem CID158919449
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
SMILESCC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H26N6.4H2/c1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19;;;;/h3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25);4*1H/t14-,16?;;;;/m1..../s1
InChIKeyJHQPUGYGZVWSAR-KUYKEPMXSA-N
XLogP4.20
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen 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

molecular hydrogen;trans-(1S,2R)-2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]cyclohexan-1-amine
CID 161066335
3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160821717
3-[6-[3-(1,1-difluoro-2-methylpropyl)piperazin-1-yl]-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3S,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-one
CID 159928485
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949894
(3R,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 118527206
molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 160853753
[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen
CID 160568554
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 45107962
3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(5,8-diazaspiro[3.5]nonan-8-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 158302130
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949679
3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67950023

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The IUPAC name of (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen (CID 158919449) is (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The canonical SMILES for (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen is CC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
The InChIKey is JHQPUGYGZVWSAR-KUYKEPMXSA-N. The full InChI is InChI=1S/C20H26N6.4H2/c1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19;;;;/h3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25);4*1H/t14-,16?;;;;/m1..../s1.
What are the key properties of (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen?
(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen has a molecular weight of 358.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158919449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).