3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C26H29F3N4O2 — CID 42647227

IUPAC3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)Cc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21
InChIInChI=1S/C26H29F3N4O2/c1-32-22-9-18(4-5-20(22)10-23(32)34)15-33-7-6-25(16-33,11-17-2-3-17)24(35)31-13-19-8-21(14-30-12-19)26(27,28)29/h4-5,8-9,12,14,17H,2-3,6-7,10-11,13,15-16H2,1H3,(H,31,35)
InChIKeyHIBMCQKTNDDETM-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.93
Rot. Bonds7

About 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 42647227) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID42647227
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)Cc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21
InChIInChI=1S/C26H29F3N4O2/c1-32-22-9-18(4-5-20(22)10-23(32)34)15-33-7-6-25(16-33,11-17-2-3-17)24(35)31-13-19-8-21(14-30-12-19)26(27,28)29/h4-5,8-9,12,14,17H,2-3,6-7,10-11,13,15-16H2,1H3,(H,31,35)
InChIKeyHIBMCQKTNDDETM-UHFFFAOYSA-N
XLogP3.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)piperidin-1-yl]methyl]-2-hydroxybenzoic acid
CID 24953712
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide
CID 90807539
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 24954412
5-[[3-(cyclopropylmethyl)-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 143818569
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[(3-methoxyoxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 87469087
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide
CID 89174337
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 89278223
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-(4-hydroxy-2-methoxycyclohexyl)piperidine-4-carboxamide
CID 87467696
4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol
CID 70833064
3-[2-cyclopropyl-1-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)ethyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 68874360
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(2-methylpropyl)piperidine-4-carboxamide
CID 24769647
6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 89012286

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 42647227) is 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is CN1C(=O)Cc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HIBMCQKTNDDETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-32-22-9-18(4-5-20(22)10-23(32)34)15-33-7-6-25(16-33,11-17-2-3-17)24(35)31-13-19-8-21(14-30-12-19)26(27,28)29/h4-5,8-9,12,14,17H,2-3,6-7,10-11,13,15-16H2,1H3,(H,31,35).
What are the key properties of 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42647227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).