(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone

C18H14F2N4O — CID 142623956

IUPAC(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H14F2N4O/c19-13-1-3-17(15(20)8-13)24-10-12(9-22-24)18(25)23-6-5-11-7-14(21)2-4-16(11)23/h1-4,7-10H,5-6,21H2
InChIKeySKFHEIHGTKCUHD-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.94
Rot. Bonds2

About (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone

(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone (PubChem CID 142623956) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
PubChem CID142623956
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H14F2N4O/c19-13-1-3-17(15(20)8-13)24-10-12(9-22-24)18(25)23-6-5-11-7-14(21)2-4-16(11)23/h1-4,7-10H,5-6,21H2
InChIKeySKFHEIHGTKCUHD-UHFFFAOYSA-N
XLogP2.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 43248167
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
6-(4-aminobenzoyl)-8-fluoro-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid
CID 142512254
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
CID 89009640
CID 89009640

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone (CID 142623956) is (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone is Nc1ccc2c(c1)CCN2C(=O)c1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone?
The InChIKey is SKFHEIHGTKCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-1-3-17(15(20)8-13)24-10-12(9-22-24)18(25)23-6-5-11-7-14(21)2-4-16(11)23/h1-4,7-10H,5-6,21H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone?
(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone has a molecular weight of 340.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 142623956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).