2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane

C22H24N4O — CID 166490715

IUPAC2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C2)cc1
InChIInChI=1S/C22H24N4O/c1-16-20(21(25-24-16)18-6-10-23-11-7-18)17-2-4-19(5-3-17)26-14-22(15-26)8-12-27-13-9-22/h2-7,10-11H,8-9,12-15H2,1H3,(H,24,25)
InChIKeyFTHKWYNNHWIHAP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.06
Rot. Bonds3

About 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane

2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 166490715) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
PubChem CID166490715
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C2)cc1
InChIInChI=1S/C22H24N4O/c1-16-20(21(25-24-16)18-6-10-23-11-7-18)17-2-4-19(5-3-17)26-14-22(15-26)8-12-27-13-9-22/h2-7,10-11H,8-9,12-15H2,1H3,(H,24,25)
InChIKeyFTHKWYNNHWIHAP-UHFFFAOYSA-N
XLogP4.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane (CID 166490715) is 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane is Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C2)cc1.
What is the InChIKey of 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FTHKWYNNHWIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-20(21(25-24-16)18-6-10-23-11-7-18)17-2-4-19(5-3-17)26-14-22(15-26)8-12-27-13-9-22/h2-7,10-11H,8-9,12-15H2,1H3,(H,24,25).
What are the key properties of 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 360.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166490715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).