4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine

C6H9N3 — CID 20784738

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine
SMILESc1n[nH]c2c1NCCC2
InChIInChI=1S/C6H9N3/c1-2-5-6(7-3-1)4-8-9-5/h4,7H,1-3H2,(H,8,9)
InChIKeyRTTBBADOMOOPTQ-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.77
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine

4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine (PubChem CID 20784738) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine
PubChem CID20784738
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine
SMILESc1n[nH]c2c1NCCC2
InChIInChI=1S/C6H9N3/c1-2-5-6(7-3-1)4-8-9-5/h4,7H,1-3H2,(H,8,9)
InChIKeyRTTBBADOMOOPTQ-UHFFFAOYSA-N
XLogP0.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine
CID 73357540
4H,5H,6H,7H-pyrazolo(1,5-a)pyridin-3-amine hydrochloride
CID 126804560
1,4,5,6-Tetrahydro-pyrrolopyrazole
CID 67314475
Pyrazolopiperidinone
CID 69129225
Pyrazolopyridine-6-amine
CID 136508234
4,5,6,7-Tetrahydropyrazolo[1,5-A]pyridin-3-amine
CID 72212719
1-(4-Fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 134424318
4-Fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-amine
CID 146613793
5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-amine
CID 155456896
5-Fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-amine
CID 155456897
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 163569880

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine (CID 20784738) is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine is c1n[nH]c2c1NCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine?
The InChIKey is RTTBBADOMOOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-5-6(7-3-1)4-8-9-5/h4,7H,1-3H2,(H,8,9).
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine?
4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 123.16 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 20784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).