N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide

C21H21FN4O2 — CID 56907770

IUPACN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NC1CC(=O)N(Cc3ccc(F)cc3)C1)nn2C
InChIInChI=1S/C21H21FN4O2/c1-13-3-8-18-17(9-13)20(24-25(18)2)21(28)23-16-10-19(27)26(12-16)11-14-4-6-15(22)7-5-14/h3-9,16H,10-12H2,1-2H3,(H,23,28)
InChIKeyDAJIQTYFWIDCSW-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.55
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide (PubChem CID 56907770) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide
PubChem CID56907770
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NC1CC(=O)N(Cc3ccc(F)cc3)C1)nn2C
InChIInChI=1S/C21H21FN4O2/c1-13-3-8-18-17(9-13)20(24-25(18)2)21(28)23-16-10-19(27)26(12-16)11-14-4-6-15(22)7-5-14/h3-9,16H,10-12H2,1-2H3,(H,23,28)
InChIKeyDAJIQTYFWIDCSW-UHFFFAOYSA-N
XLogP2.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide (CID 56907770) is N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide is Cc1ccc2c(c1)c(C(=O)NC1CC(=O)N(Cc3ccc(F)cc3)C1)nn2C.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide?
The InChIKey is DAJIQTYFWIDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13-3-8-18-17(9-13)20(24-25(18)2)21(28)23-16-10-19(27)26(12-16)11-14-4-6-15(22)7-5-14/h3-9,16H,10-12H2,1-2H3,(H,23,28).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylindazole-3-carboxamide is sourced from PubChem (CID 56907770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).