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

C23H26N4O — CID 166490597

IUPAC2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C23H26N4O/c1-16-13-19(21-17(2)25-26-22(21)18-5-9-24-10-6-18)3-4-20(16)27-14-23(15-27)7-11-28-12-8-23/h3-6,9-10,13H,7-8,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyTYMSKSNLGFNJEX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.37
Rot. Bonds3

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

2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 166490597) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
PubChem CID166490597
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C23H26N4O/c1-16-13-19(21-17(2)25-26-22(21)18-5-9-24-10-6-18)3-4-20(16)27-14-23(15-27)7-11-28-12-8-23/h3-6,9-10,13H,7-8,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyTYMSKSNLGFNJEX-UHFFFAOYSA-N
XLogP4.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane (CID 166490597) is 2-[2-methyl-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-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane is Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CC2(CCOCC2)C1.
What is the InChIKey of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is TYMSKSNLGFNJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-13-19(21-17(2)25-26-22(21)18-5-9-24-10-6-18)3-4-20(16)27-14-23(15-27)7-11-28-12-8-23/h3-6,9-10,13H,7-8,11-12,14-15H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane?
2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 374.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).