N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide

C21H23FN4O — CID 166206651

IUPACN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27)
InChIKeyAHINIPQMOBJJKT-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.76
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide

N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide (PubChem CID 166206651) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
PubChem CID166206651
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27)
InChIKeyAHINIPQMOBJJKT-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide (CID 166206651) is N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide is Cc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The InChIKey is AHINIPQMOBJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 166206651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).