ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate

C25H23N5O2 — CID 118708352

IUPACethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C25H23N5O2/c1-3-32-25(31)21-15-23-19-10-7-13-26-20(19)14-18(30(23)28-21)11-12-24-27-22(16-29(24)2)17-8-5-4-6-9-17/h4-10,13-16H,3,11-12H2,1-2H3
InChIKeyHRNULPRQCFJBRP-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.24
Rot. Bonds6

About ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate

ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate (PubChem CID 118708352) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
PubChem CID118708352
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Nameethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C25H23N5O2/c1-3-32-25(31)21-15-23-19-10-7-13-26-20(19)14-18(30(23)28-21)11-12-24-27-22(16-29(24)2)17-8-5-4-6-9-17/h4-10,13-16H,3,11-12H2,1-2H3
InChIKeyHRNULPRQCFJBRP-UHFFFAOYSA-N
XLogP4.24
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate (CID 118708352) is ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate is CCOC(=O)c1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1.
What is the InChIKey of ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
The InChIKey is HRNULPRQCFJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-3-32-25(31)21-15-23-19-10-7-13-26-20(19)14-18(30(23)28-21)11-12-24-27-22(16-29(24)2)17-8-5-4-6-9-17/h4-10,13-16H,3,11-12H2,1-2H3.
What are the key properties of ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate?
ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate is sourced from PubChem (CID 118708352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).