N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide

C24H22FN3O — CID 164626379

IUPACN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C24H22FN3O/c25-19-6-8-20(9-7-19)27-23(29)24(12-3-13-24)18-5-10-21-17(16-18)11-15-28(21)22-4-1-2-14-26-22/h1-2,4-10,14,16H,3,11-13,15H2,(H,27,29)
InChIKeyHQCODIIHUPZPIB-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.98
Rot. Bonds4

About N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide (PubChem CID 164626379) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
PubChem CID164626379
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C24H22FN3O/c25-19-6-8-20(9-7-19)27-23(29)24(12-3-13-24)18-5-10-21-17(16-18)11-15-28(21)22-4-1-2-14-26-22/h1-2,4-10,14,16H,3,11-13,15H2,(H,27,29)
InChIKeyHQCODIIHUPZPIB-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide (CID 164626379) is N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1.
What is the InChIKey of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is HQCODIIHUPZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-19-6-8-20(9-7-19)27-23(29)24(12-3-13-24)18-5-10-21-17(16-18)11-15-28(21)22-4-1-2-14-26-22/h1-2,4-10,14,16H,3,11-13,15H2,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164626379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).