2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid

C20H15N5O3 — CID 156837492

IUPAC2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2c(C)cc(-c3cnc4cc(C#N)nn4c3)cc12
InChIInChI=1S/C20H15N5O3/c1-11-3-13(14-7-22-18-5-15(6-21)23-25(18)8-14)4-16-17(12(2)26)9-24(20(11)16)10-19(27)28/h3-5,7-9H,10H2,1-2H3,(H,27,28)
InChIKeyFCDCWSMIEWMIQV-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.82
Rot. Bonds4

About 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid

2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid (PubChem CID 156837492) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid
PubChem CID156837492
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2c(C)cc(-c3cnc4cc(C#N)nn4c3)cc12
InChIInChI=1S/C20H15N5O3/c1-11-3-13(14-7-22-18-5-15(6-21)23-25(18)8-14)4-16-17(12(2)26)9-24(20(11)16)10-19(27)28/h3-5,7-9H,10H2,1-2H3,(H,27,28)
InChIKeyFCDCWSMIEWMIQV-UHFFFAOYSA-N
XLogP2.82
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 169551955
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indol-1-yl)acetyl)-N-benzyl-4-fluoropyrrolidine-2-carboxamide
CID 126642863
(S)-1-(2-(3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indol-1-yl)acetyl)-N-(6-methylpyridin-2-yl)azetidine-2-carboxamide
CID 126642945
Danicopan metabolite M311
CID 126618634
N-(2-cyano-5-{[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbonyl}phenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 118274550
1-(6-Fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile
CID 118442297
3-Acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile
CID 118447264
2-[3-Acetyl-5-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]indazol-1-yl]acetic acid
CID 126623010
2-[3-Acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
CID 126623049
2-[3-Acetyl-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 126623099
2-[3-Acetyl-5-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]indazol-1-yl]acetic acid
CID 126623169
2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]acetonitrile
CID 126623942

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid (CID 156837492) is 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid is CC(=O)c1cn(CC(=O)O)c2c(C)cc(-c3cnc4cc(C#N)nn4c3)cc12.
What is the InChIKey of 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid?
The InChIKey is FCDCWSMIEWMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-11-3-13(14-7-22-18-5-15(6-21)23-25(18)8-14)4-16-17(12(2)26)9-24(20(11)16)10-19(27)28/h3-5,7-9H,10H2,1-2H3,(H,27,28).
What are the key properties of 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid?
2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid has a molecular weight of 373.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-7-methylindol-1-yl]acetic acid is sourced from PubChem (CID 156837492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).