3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

C23H25N5O — CID 156844562

IUPAC3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CCC5(CCNC5)CC4)ccc2-3)c1
InChIInChI=1S/C23H25N5O/c1-9-25-28(11-1)18-2-3-19-17(14-18)15-29-22-20(19)4-5-21(26-22)27-12-7-23(8-13-27)6-10-24-16-23/h1-5,9,11,14,24H,6-8,10,12-13,15-16H2
InChIKeyMZBARZIMGIKVRT-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.41
Rot. Bonds2

About 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844562) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
PubChem CID156844562
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CCC5(CCNC5)CC4)ccc2-3)c1
InChIInChI=1S/C23H25N5O/c1-9-25-28(11-1)18-2-3-19-17(14-18)15-29-22-20(19)4-5-21(26-22)27-12-7-23(8-13-27)6-10-24-16-23/h1-5,9,11,14,24H,6-8,10,12-13,15-16H2
InChIKeyMZBARZIMGIKVRT-UHFFFAOYSA-N
XLogP3.41
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (CID 156844562) is 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is c1cnn(-c2ccc3c(c2)COc2nc(N4CCC5(CCNC5)CC4)ccc2-3)c1.
What is the InChIKey of 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The InChIKey is MZBARZIMGIKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-9-25-28(11-1)18-2-3-19-17(14-18)15-29-22-20(19)4-5-21(26-22)27-12-7-23(8-13-27)6-10-24-16-23/h1-5,9,11,14,24H,6-8,10,12-13,15-16H2.
What are the key properties of 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine has a molecular weight of 387.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-diazaspiro[4.5]decan-8-yl)-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).