4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine

C22H23N5O — CID 127034165

IUPAC4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCOCC5)cc34)cc2)cn1
InChIInChI=1S/C22H23N5O/c1-26-15-18(14-23-26)17-4-2-16(3-5-17)12-22-20-13-19(6-7-21(20)24-25-22)27-8-10-28-11-9-27/h2-7,13-15H,8-12H2,1H3,(H,24,25)
InChIKeyUETJKJCLDAZMNX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.39
Rot. Bonds4

About 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine

4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine (PubChem CID 127034165) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine
PubChem CID127034165
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCOCC5)cc34)cc2)cn1
InChIInChI=1S/C22H23N5O/c1-26-15-18(14-23-26)17-4-2-16(3-5-17)12-22-20-13-19(6-7-21(20)24-25-22)27-8-10-28-11-9-27/h2-7,13-15H,8-12H2,1H3,(H,24,25)
InChIKeyUETJKJCLDAZMNX-UHFFFAOYSA-N
XLogP3.39
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine?
The IUPAC name of 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine (CID 127034165) is 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine?
The canonical SMILES for 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCOCC5)cc34)cc2)cn1.
What is the InChIKey of 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine?
The InChIKey is UETJKJCLDAZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-15-18(14-23-26)17-4-2-16(3-5-17)12-22-20-13-19(6-7-21(20)24-25-22)27-8-10-28-11-9-27/h2-7,13-15H,8-12H2,1H3,(H,24,25).
What are the key properties of 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine?
4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine has a molecular weight of 373.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]morpholine is sourced from PubChem (CID 127034165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).