4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C17H20N6 — CID 165156574

IUPAC4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2c[nH]c3nccc(N4CCC5(CCCN5)C4)c23)[nH]n1
InChIInChI=1S/C17H20N6/c1-4-17(20-6-1)5-9-23(11-17)14-3-7-18-16-15(14)12(10-19-16)13-2-8-21-22-13/h2-3,7-8,10,20H,1,4-6,9,11H2,(H,18,19)(H,21,22)
InChIKeyAQBIAGJFJKMCNG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.29
Rot. Bonds2

About 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 165156574) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID165156574
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2c[nH]c3nccc(N4CCC5(CCCN5)C4)c23)[nH]n1
InChIInChI=1S/C17H20N6/c1-4-17(20-6-1)5-9-23(11-17)14-3-7-18-16-15(14)12(10-19-16)13-2-8-21-22-13/h2-3,7-8,10,20H,1,4-6,9,11H2,(H,18,19)(H,21,22)
InChIKeyAQBIAGJFJKMCNG-UHFFFAOYSA-N
XLogP2.29
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 165156574) is 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is c1cc(-c2c[nH]c3nccc(N4CCC5(CCCN5)C4)c23)[nH]n1.
What is the InChIKey of 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AQBIAGJFJKMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-4-17(20-6-1)5-9-23(11-17)14-3-7-18-16-15(14)12(10-19-16)13-2-8-21-22-13/h2-3,7-8,10,20H,1,4-6,9,11H2,(H,18,19)(H,21,22).
What are the key properties of 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-diazaspiro[4.4]nonan-7-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).