3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C24H26F3N3O2 — CID 66883378

IUPAC3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCN2CCCC2)c1-c1ccco1
InChIInChI=1S/C24H26F3N3O2/c1-17-15-30(16-18-6-8-19(9-7-18)24(25,26)27)22(21(17)20-5-4-14-32-20)23(31)28-10-13-29-11-2-3-12-29/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,28,31)
InChIKeyLLIUQIKCYCWXMO-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.95
Rot. Bonds7

About 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 66883378) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID66883378
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCN2CCCC2)c1-c1ccco1
InChIInChI=1S/C24H26F3N3O2/c1-17-15-30(16-18-6-8-19(9-7-18)24(25,26)27)22(21(17)20-5-4-14-32-20)23(31)28-10-13-29-11-2-3-12-29/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,28,31)
InChIKeyLLIUQIKCYCWXMO-UHFFFAOYSA-N
XLogP4.95
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 66883378) is 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is Cc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCN2CCCC2)c1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is LLIUQIKCYCWXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-17-15-30(16-18-6-8-19(9-7-18)24(25,26)27)22(21(17)20-5-4-14-32-20)23(31)28-10-13-29-11-2-3-12-29/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,28,31).
What are the key properties of 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 66883378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).