5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide

C25H28F3N5O2 — CID 142280113

IUPAC5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(N2CCN(CCNC(=O)c3cc(C)[nH]c3-c3ccccc3OC(F)(F)F)CC2)ccn1
InChIInChI=1S/C25H28F3N5O2/c1-17-15-19(7-8-29-17)33-13-11-32(12-14-33)10-9-30-24(34)21-16-18(2)31-23(21)20-5-3-4-6-22(20)35-25(26,27)28/h3-8,15-16,31H,9-14H2,1-2H3,(H,30,34)
InChIKeyGSMXSRMRMSIDDW-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.14
Rot. Bonds7

About 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide

5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 142280113) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID142280113
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(N2CCN(CCNC(=O)c3cc(C)[nH]c3-c3ccccc3OC(F)(F)F)CC2)ccn1
InChIInChI=1S/C25H28F3N5O2/c1-17-15-19(7-8-29-17)33-13-11-32(12-14-33)10-9-30-24(34)21-16-18(2)31-23(21)20-5-3-4-6-22(20)35-25(26,27)28/h3-8,15-16,31H,9-14H2,1-2H3,(H,30,34)
InChIKeyGSMXSRMRMSIDDW-UHFFFAOYSA-N
XLogP4.14
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154771495
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142279952
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium
CID 143764820
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695556
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-nitrophenyl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695509
1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 55922845
5-methyl-N-[(1R)-1-(4-phenylcyclohexyl)ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142280066
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (CID 142280113) is 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is Cc1cc(N2CCN(CCNC(=O)c3cc(C)[nH]c3-c3ccccc3OC(F)(F)F)CC2)ccn1.
What is the InChIKey of 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GSMXSRMRMSIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-17-15-19(7-8-29-17)33-13-11-32(12-14-33)10-9-30-24(34)21-16-18(2)31-23(21)20-5-3-4-6-22(20)35-25(26,27)28/h3-8,15-16,31H,9-14H2,1-2H3,(H,30,34).
What are the key properties of 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).