3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

C22H23N5O — CID 156844570

IUPAC3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CC5(CCNCC5)C4)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-8-24-27(11-1)17-2-3-18-16(12-17)13-28-21-19(18)4-5-20(25-21)26-14-22(15-26)6-9-23-10-7-22/h1-5,8,11-12,23H,6-7,9-10,13-15H2
InChIKeyASFCBYVILWJFOZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.02
Rot. Bonds2

About 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844570) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
PubChem CID156844570
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CC5(CCNCC5)C4)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-8-24-27(11-1)17-2-3-18-16(12-17)13-28-21-19(18)4-5-20(25-21)26-14-22(15-26)6-9-23-10-7-22/h1-5,8,11-12,23H,6-7,9-10,13-15H2
InChIKeyASFCBYVILWJFOZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (CID 156844570) is 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is c1cnn(-c2ccc3c(c2)COc2nc(N4CC5(CCNCC5)C4)ccc2-3)c1.
What is the InChIKey of 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The InChIKey is ASFCBYVILWJFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-8-24-27(11-1)17-2-3-18-16(12-17)13-28-21-19(18)4-5-20(25-21)26-14-22(15-26)6-9-23-10-7-22/h1-5,8,11-12,23H,6-7,9-10,13-15H2.
What are the key properties of 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine has a molecular weight of 373.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diazaspiro[3.5]nonan-2-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).