N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide

C22H24N6O — CID 118959880

IUPACN-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C22H24N6O/c1-15(29)23-9-10-24-19-7-8-21-20(12-19)22(27-26-21)11-16-3-5-17(6-4-16)18-13-25-28(2)14-18/h3-8,12-14,24H,9-11H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyCISPMBXZQNYLKC-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.10
Rot. Bonds7

About N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide

N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide (PubChem CID 118959880) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
PubChem CID118959880
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C22H24N6O/c1-15(29)23-9-10-24-19-7-8-21-20(12-19)22(27-26-21)11-16-3-5-17(6-4-16)18-13-25-28(2)14-18/h3-8,12-14,24H,9-11H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyCISPMBXZQNYLKC-UHFFFAOYSA-N
XLogP3.10
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide (CID 118959880) is N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide?
The InChIKey is CISPMBXZQNYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(29)23-9-10-24-19-7-8-21-20(12-19)22(27-26-21)11-16-3-5-17(6-4-16)18-13-25-28(2)14-18/h3-8,12-14,24H,9-11H2,1-2H3,(H,23,29)(H,26,27).
What are the key properties of N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide?
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide is sourced from PubChem (CID 118959880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).