3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide

C24H19FN4O2S — CID 71796522

IUPAC3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C24H19FN4O2S/c1-28-21(14-19(27-28)15-4-7-17(25)8-5-15)23(30)26-18-9-6-16-10-11-29(20(16)13-18)24(31)22-3-2-12-32-22/h2-9,12-14H,10-11H2,1H3,(H,26,30)
InChIKeyVEKAYYMYIAWSHO-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.74
Rot. Bonds4

About 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide (PubChem CID 71796522) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide
PubChem CID71796522
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C24H19FN4O2S/c1-28-21(14-19(27-28)15-4-7-17(25)8-5-15)23(30)26-18-9-6-16-10-11-29(20(16)13-18)24(31)22-3-2-12-32-22/h2-9,12-14H,10-11H2,1H3,(H,26,30)
InChIKeyVEKAYYMYIAWSHO-UHFFFAOYSA-N
XLogP4.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide (CID 71796522) is 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide?
The InChIKey is VEKAYYMYIAWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c1-28-21(14-19(27-28)15-4-7-17(25)8-5-15)23(30)26-18-9-6-16-10-11-29(20(16)13-18)24(31)22-3-2-12-32-22/h2-9,12-14H,10-11H2,1H3,(H,26,30).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 71796522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).