9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C17H21N5O — CID 134789305

IUPAC9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCn1nccc1CN1CCCC2(CC(c3cccnc3)=NO2)C1
InChIInChI=1S/C17H21N5O/c1-21-15(5-8-19-21)12-22-9-3-6-17(13-22)10-16(20-23-17)14-4-2-7-18-11-14/h2,4-5,7-8,11H,3,6,9-10,12-13H2,1H3
InChIKeyJUDACBQVMJSIFI-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.97
Rot. Bonds3

About 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134789305) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134789305
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCn1nccc1CN1CCCC2(CC(c3cccnc3)=NO2)C1
InChIInChI=1S/C17H21N5O/c1-21-15(5-8-19-21)12-22-9-3-6-17(13-22)10-16(20-23-17)14-4-2-7-18-11-14/h2,4-5,7-8,11H,3,6,9-10,12-13H2,1H3
InChIKeyJUDACBQVMJSIFI-UHFFFAOYSA-N
XLogP1.97
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134789305) is 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is Cn1nccc1CN1CCCC2(CC(c3cccnc3)=NO2)C1.
What is the InChIKey of 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is JUDACBQVMJSIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-15(5-8-19-21)12-22-9-3-6-17(13-22)10-16(20-23-17)14-4-2-7-18-11-14/h2,4-5,7-8,11H,3,6,9-10,12-13H2,1H3.
What are the key properties of 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 311.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134789305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).