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

C20H22F2N4O2 — CID 24790819

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O2/c21-13-6-7-18(15(22)11-13)26-17-4-1-3-16(14(17)12-23-26)24-19(27)8-10-25-9-2-5-20(25)28/h6-7,11-12,16H,1-5,8-10H2,(H,24,27)
InChIKeyFPMHYCQEXLXUMZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.66
Rot. Bonds5

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

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 24790819) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID24790819
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O2/c21-13-6-7-18(15(22)11-13)26-17-4-1-3-16(14(17)12-23-26)24-19(27)8-10-25-9-2-5-20(25)28/h6-7,11-12,16H,1-5,8-10H2,(H,24,27)
InChIKeyFPMHYCQEXLXUMZ-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 24790819) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is O=C(CCN1CCCC1=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is FPMHYCQEXLXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c21-13-6-7-18(15(22)11-13)26-17-4-1-3-16(14(17)12-23-26)24-19(27)8-10-25-9-2-5-20(25)28/h6-7,11-12,16H,1-5,8-10H2,(H,24,27).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 388.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).