2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H20N4O4 — CID 120696665

IUPAC2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cccc2[nH]cc(CC(=O)Nc3cnn(C(C)(C)C(=O)O)c3)c12
InChIInChI=1S/C18H20N4O4/c1-18(2,17(24)25)22-10-12(9-20-22)21-15(23)7-11-8-19-13-5-4-6-14(26-3)16(11)13/h4-6,8-10,19H,7H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyKTAPGWSUXYEOSX-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696665) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696665
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cccc2[nH]cc(CC(=O)Nc3cnn(C(C)(C)C(=O)O)c3)c12
InChIInChI=1S/C18H20N4O4/c1-18(2,17(24)25)22-10-12(9-20-22)21-15(23)7-11-8-19-13-5-4-6-14(26-3)16(11)13/h4-6,8-10,19H,7H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyKTAPGWSUXYEOSX-UHFFFAOYSA-N
XLogP2.37
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696427
2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696665) is 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is COc1cccc2[nH]cc(CC(=O)Nc3cnn(C(C)(C)C(=O)O)c3)c12.
What is the InChIKey of 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is KTAPGWSUXYEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-18(2,17(24)25)22-10-12(9-20-22)21-15(23)7-11-8-19-13-5-4-6-14(26-3)16(11)13/h4-6,8-10,19H,7H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 356.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).