N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide

C21H23F2N5O — CID 24793856

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N5O/c1-2-20-24-9-11-27(20)10-8-21(29)26-17-4-3-5-18-15(17)13-25-28(18)19-7-6-14(22)12-16(19)23/h6-7,9,11-13,17H,2-5,8,10H2,1H3,(H,26,29)
InChIKeyHRDYRWQMJFEUAU-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 24793856) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID24793856
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N5O/c1-2-20-24-9-11-27(20)10-8-21(29)26-17-4-3-5-18-15(17)13-25-28(18)19-7-6-14(22)12-16(19)23/h6-7,9,11-13,17H,2-5,8,10H2,1H3,(H,26,29)
InChIKeyHRDYRWQMJFEUAU-UHFFFAOYSA-N
XLogP3.49
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide (CID 24793856) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is HRDYRWQMJFEUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-2-20-24-9-11-27(20)10-8-21(29)26-17-4-3-5-18-15(17)13-25-28(18)19-7-6-14(22)12-16(19)23/h6-7,9,11-13,17H,2-5,8,10H2,1H3,(H,26,29).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 24793856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).