6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C23H26F3N3O2 — CID 126467432

IUPAC6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CC3C(=O)NCc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C23H26F3N3O2/c1-14-10-15(2)28-19(14)21(31)29-8-6-22(7-9-29)12-18(22)20(30)27-13-16-4-3-5-17(11-16)23(24,25)26/h3-5,10-11,18,28H,6-9,12-13H2,1-2H3,(H,27,30)
InChIKeyMACKUUNPOBIVAL-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.21
Rot. Bonds4

About 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467432) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126467432
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CC3C(=O)NCc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C23H26F3N3O2/c1-14-10-15(2)28-19(14)21(31)29-8-6-22(7-9-29)12-18(22)20(30)27-13-16-4-3-5-17(11-16)23(24,25)26/h3-5,10-11,18,28H,6-9,12-13H2,1-2H3,(H,27,30)
InChIKeyMACKUUNPOBIVAL-UHFFFAOYSA-N
XLogP4.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42170363
(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438455
ethyl 4-[(2R)-6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 125168227
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 118754009
1-[(2-methylphenyl)methylsulfonyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 100755461
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
(3R)-8-(3,4-dimethoxybenzoyl)-4-(2-methylbenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421053
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45241253
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 70813820

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126467432) is 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(C)c(C(=O)N2CCC3(CC2)CC3C(=O)NCc2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MACKUUNPOBIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-14-10-15(2)28-19(14)21(31)29-8-6-22(7-9-29)12-18(22)20(30)27-13-16-4-3-5-17(11-16)23(24,25)26/h3-5,10-11,18,28H,6-9,12-13H2,1-2H3,(H,27,30).
What are the key properties of 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).