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

C23H21N5 — CID 118708350

IUPAC2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H21N5/c1-16-13-22-19-9-6-12-24-20(19)14-18(28(22)26-16)10-11-23-25-21(15-27(23)2)17-7-4-3-5-8-17/h3-9,12-15H,10-11H2,1-2H3
InChIKeyBXIIFXYGDMSEMO-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.38
Rot. Bonds4

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

2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine (PubChem CID 118708350) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
PubChem CID118708350
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H21N5/c1-16-13-22-19-9-6-12-24-20(19)14-18(28(22)26-16)10-11-23-25-21(15-27(23)2)17-7-4-3-5-8-17/h3-9,12-15H,10-11H2,1-2H3
InChIKeyBXIIFXYGDMSEMO-UHFFFAOYSA-N
XLogP4.38
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine (CID 118708350) is 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine is Cc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1.
What is the InChIKey of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The InChIKey is BXIIFXYGDMSEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-16-13-22-19-9-6-12-24-20(19)14-18(28(22)26-16)10-11-23-25-21(15-27(23)2)17-7-4-3-5-8-17/h3-9,12-15H,10-11H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine has a molecular weight of 367.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 118708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).