[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone

C23H22ClFN4O — CID 130345375

IUPAC[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone
SMILESO=C(N1CCc2cc(-c3ccnn3Cc3ccccc3Cl)ccc21)C1(F)CCNC1
InChIInChI=1S/C23H22ClFN4O/c24-19-4-2-1-3-18(19)14-29-21(7-10-27-29)16-5-6-20-17(13-16)8-12-28(20)22(30)23(25)9-11-26-15-23/h1-7,10,13,26H,8-9,11-12,14-15H2
InChIKeyQEQXNYIBZRXSBJ-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.84
Rot. Bonds4

About [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone

[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone (PubChem CID 130345375) has the molecular formula C23H22ClFN4O and a molecular weight of 424.91 g/mol. Its IUPAC name is [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone
PubChem CID130345375
Molecular FormulaC23H22ClFN4O
Molecular Weight424.91 g/mol
Exact Mass424.15
IUPAC Name[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone
SMILESO=C(N1CCc2cc(-c3ccnn3Cc3ccccc3Cl)ccc21)C1(F)CCNC1
InChIInChI=1S/C23H22ClFN4O/c24-19-4-2-1-3-18(19)14-29-21(7-10-27-29)16-5-6-20-17(13-16)8-12-28(20)22(30)23(25)9-11-26-15-23/h1-7,10,13,26H,8-9,11-12,14-15H2
InChIKeyQEQXNYIBZRXSBJ-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone?
The IUPAC name of [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone (CID 130345375) is [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone.
What is the SMILES notation for [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone?
The canonical SMILES for [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone is O=C(N1CCc2cc(-c3ccnn3Cc3ccccc3Cl)ccc21)C1(F)CCNC1.
What is the InChIKey of [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone?
The InChIKey is QEQXNYIBZRXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O/c24-19-4-2-1-3-18(19)14-29-21(7-10-27-29)16-5-6-20-17(13-16)8-12-28(20)22(30)23(25)9-11-26-15-23/h1-7,10,13,26H,8-9,11-12,14-15H2.
What are the key properties of [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone?
[5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone has a molecular weight of 424.91 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydroindol-1-yl]-(3-fluoropyrrolidin-3-yl)methanone is sourced from PubChem (CID 130345375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).