ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate

C27H23N7O3 — CID 166195781

IUPACethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cc(NC(=O)c3cnc4c(c3)c(C)nn4-c3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C27H23N7O3/c1-3-37-24(35)15-33-11-10-17-12-19(8-9-23(17)33)29-26(36)18-13-20-16(2)32-34(25(20)28-14-18)27-30-21-6-4-5-7-22(21)31-27/h4-14H,3,15H2,1-2H3,(H,29,36)(H,30,31)
InChIKeyDRSQDHYEQLDWPZ-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.38
Rot. Bonds6

About ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate

ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate (PubChem CID 166195781) has the molecular formula C27H23N7O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate
PubChem CID166195781
Molecular FormulaC27H23N7O3
Molecular Weight493.53 g/mol
Exact Mass493.19
IUPAC Nameethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cc(NC(=O)c3cnc4c(c3)c(C)nn4-c3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C27H23N7O3/c1-3-37-24(35)15-33-11-10-17-12-19(8-9-23(17)33)29-26(36)18-13-20-16(2)32-34(25(20)28-14-18)27-30-21-6-4-5-7-22(21)31-27/h4-14H,3,15H2,1-2H3,(H,29,36)(H,30,31)
InChIKeyDRSQDHYEQLDWPZ-UHFFFAOYSA-N
XLogP4.38
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate with MolForge

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 166190915
1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 166188460
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
N-(1-propylindol-5-yl)-1H-indazole-3-carboxamide
CID 60607032
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235427
ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51129932
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate (CID 166195781) is ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate is CCOC(=O)Cn1ccc2cc(NC(=O)c3cnc4c(c3)c(C)nn4-c3nc4ccccc4[nH]3)ccc21.
What is the InChIKey of ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate?
The InChIKey is DRSQDHYEQLDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3/c1-3-37-24(35)15-33-11-10-17-12-19(8-9-23(17)33)29-26(36)18-13-20-16(2)32-34(25(20)28-14-18)27-30-21-6-4-5-7-22(21)31-27/h4-14H,3,15H2,1-2H3,(H,29,36)(H,30,31).
What are the key properties of ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate?
ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate has a molecular weight of 493.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate is sourced from PubChem (CID 166195781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).