methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate

C20H19N5O3 — CID 31520474

IUPACmethyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c2ccccc12
InChIInChI=1S/C20H19N5O3/c1-12-15-8-13(9-21-19(15)24(2)23-12)22-18(26)11-25-10-16(20(27)28-3)14-6-4-5-7-17(14)25/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyJLVSPUDTCQVUDX-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.66
Rot. Bonds4

About methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate (PubChem CID 31520474) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate
PubChem CID31520474
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Namemethyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c2ccccc12
InChIInChI=1S/C20H19N5O3/c1-12-15-8-13(9-21-19(15)24(2)23-12)22-18(26)11-25-10-16(20(27)28-3)14-6-4-5-7-17(14)25/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyJLVSPUDTCQVUDX-UHFFFAOYSA-N
XLogP2.66
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate 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

methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 37032202
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]indole-3-carboxylate
CID 29219230
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
methyl 1-[2-oxo-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]ethyl]indole-3-carboxylate
CID 30886669
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
CID 60850378
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
CID 134024983

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate (CID 31520474) is methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c2ccccc12.
What is the InChIKey of methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate?
The InChIKey is JLVSPUDTCQVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-15-8-13(9-21-19(15)24(2)23-12)22-18(26)11-25-10-16(20(27)28-3)14-6-4-5-7-17(14)25/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 31520474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).