1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine

C20H32N6 — CID 146338851

IUPAC1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)(C)N1CCCc2cn(C3CCc4cnn(C(C)(C)C)c4N3)nc21
InChIInChI=1S/C20H32N6/c1-19(2,3)24-11-7-8-15-13-25(23-18(15)24)16-10-9-14-12-21-26(17(14)22-16)20(4,5)6/h12-13,16,22H,7-11H2,1-6H3
InChIKeyNASKLKSYRJAVGG-UHFFFAOYSA-N
MW356.52 g/mol
LogP3.94
Rot. Bonds1

About 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine

1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 146338851) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID146338851
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)(C)N1CCCc2cn(C3CCc4cnn(C(C)(C)C)c4N3)nc21
InChIInChI=1S/C20H32N6/c1-19(2,3)24-11-7-8-15-13-25(23-18(15)24)16-10-9-14-12-21-26(17(14)22-16)20(4,5)6/h12-13,16,22H,7-11H2,1-6H3
InChIKeyNASKLKSYRJAVGG-UHFFFAOYSA-N
XLogP3.94
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (CID 146338851) is 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is CC(C)(C)N1CCCc2cn(C3CCc4cnn(C(C)(C)C)c4N3)nc21.
What is the InChIKey of 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is NASKLKSYRJAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-19(2,3)24-11-7-8-15-13-25(23-18(15)24)16-10-9-14-12-21-26(17(14)22-16)20(4,5)6/h12-13,16,22H,7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 356.52 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(7-tert-butyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 146338851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).