molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C25H30N6 — CID 160853753

IUPACmolecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(C)c(CC2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)c(C)c1.[H][H]
InChIInChI=1S/C25H28N6.H2/c1-16-12-17(2)21(18(3)13-16)14-19-15-31(11-10-26-19)23-8-4-7-22(28-23)24-20-6-5-9-27-25(20)30-29-24;/h4-9,12-13,19,26H,10-11,14-15H2,1-3H3,(H,27,29,30);1H
InChIKeySJPFTYAUPHVDEU-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.21
Rot. Bonds4

About molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 160853753) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Namemolecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID160853753
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Namemolecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(C)c(CC2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)c(C)c1.[H][H]
InChIInChI=1S/C25H28N6.H2/c1-16-12-17(2)21(18(3)13-16)14-19-15-31(11-10-26-19)23-8-4-7-22(28-23)24-20-6-5-9-27-25(20)30-29-24;/h4-9,12-13,19,26H,10-11,14-15H2,1-3H3,(H,27,29,30);1H
InChIKeySJPFTYAUPHVDEU-UHFFFAOYSA-N
XLogP4.21
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
CID 67949815
(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
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-[(3S)-3-(cyclopropylmethyl)piperazin-1-yl]-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-(cyclopropylmethyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]ethanol
CID 157362533
3-[6-(3-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 77384229
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
CID 159524618
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
CID 160738314
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

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 160853753) is molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Cc1cc(C)c(CC2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)c(C)c1.[H][H].
What is the InChIKey of molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SJPFTYAUPHVDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6.H2/c1-16-12-17(2)21(18(3)13-16)14-19-15-31(11-10-26-19)23-8-4-7-22(28-23)24-20-6-5-9-27-25(20)30-29-24;/h4-9,12-13,19,26H,10-11,14-15H2,1-3H3,(H,27,29,30);1H.
What are the key properties of molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 414.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 160853753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).