ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate

C23H21N5O2 — CID 118708353

IUPACethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C23H21N5O2/c1-3-30-23(29)19-14-21-16-7-6-12-24-18(16)13-15(28(21)26-19)10-11-22-25-17-8-4-5-9-20(17)27(22)2/h4-9,12-14H,3,10-11H2,1-2H3
InChIKeyKUGHRAHSLFOUTN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.73
Rot. Bonds5

About ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate

ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate (PubChem CID 118708353) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
PubChem CID118708353
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Nameethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C23H21N5O2/c1-3-30-23(29)19-14-21-16-7-6-12-24-18(16)13-15(28(21)26-19)10-11-22-25-17-8-4-5-9-20(17)27(22)2/h4-9,12-14H,3,10-11H2,1-2H3
InChIKeyKUGHRAHSLFOUTN-UHFFFAOYSA-N
XLogP3.73
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate (CID 118708353) is ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate is CCOC(=O)c1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1.
What is the InChIKey of ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The InChIKey is KUGHRAHSLFOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-30-23(29)19-14-21-16-7-6-12-24-18(16)13-15(28(21)26-19)10-11-22-25-17-8-4-5-9-20(17)27(22)2/h4-9,12-14H,3,10-11H2,1-2H3.
What are the key properties of ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate is sourced from PubChem (CID 118708353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).