3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen

C21H30N6 — CID 160821717

IUPAC3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
SMILESCC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)C[C@H](CC(C)C)N1.[H][H]
InChIInChI=1S/C21H28N6.H2/c1-4-15-12-27(13-16(23-15)11-14(2)3)19-9-5-8-18(24-19)20-17-7-6-10-22-21(17)26-25-20;/h5-10,14-16,23H,4,11-13H2,1-3H3,(H,22,25,26);1H/t15-,16+;/m1./s1
InChIKeySFQDPSZGUVDUMH-RCPFAERMSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds5

About 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen

3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen (PubChem CID 160821717) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
PubChem CID160821717
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
SMILESCC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)C[C@H](CC(C)C)N1.[H][H]
InChIInChI=1S/C21H28N6.H2/c1-4-15-12-27(13-16(23-15)11-14(2)3)19-9-5-8-18(24-19)20-17-7-6-10-22-21(17)26-25-20;/h5-10,14-16,23H,4,11-13H2,1-3H3,(H,22,25,26);1H/t15-,16+;/m1./s1
InChIKeySFQDPSZGUVDUMH-RCPFAERMSA-N
XLogP3.87
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen with MolForge

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Related Compounds

(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 158919449
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 45107962
molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 160853753
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159071801
3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67950023
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-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949679
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 143931194
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949894
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-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
CID 67949815

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The IUPAC name of 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen (CID 160821717) is 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen.
What is the SMILES notation for 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The canonical SMILES for 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen is CC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)C[C@H](CC(C)C)N1.[H][H].
What is the InChIKey of 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The InChIKey is SFQDPSZGUVDUMH-RCPFAERMSA-N. The full InChI is InChI=1S/C21H28N6.H2/c1-4-15-12-27(13-16(23-15)11-14(2)3)19-9-5-8-18(24-19)20-17-7-6-10-22-21(17)26-25-20;/h5-10,14-16,23H,4,11-13H2,1-3H3,(H,22,25,26);1H/t15-,16+;/m1./s1.
What are the key properties of 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen has a molecular weight of 366.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen is sourced from PubChem (CID 160821717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).