N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide

C31H26F3N3O3 — CID 136646086

IUPACN-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2cc(CCc3ccc(C(F)(F)F)cc3)nc3c4n(c(O)c23)CCC4)cc1
InChIInChI=1S/C31H26F3N3O3/c32-31(33,34)22-12-5-19(6-13-22)7-14-23-17-25(27-28(36-23)26-4-1-15-37(26)30(27)39)20-8-10-21(11-9-20)29(38)35-18-24-3-2-16-40-24/h2-3,5-6,8-13,16-17,39H,1,4,7,14-15,18H2,(H,35,38)
InChIKeyAHVPMBIUKBWPIE-UHFFFAOYSA-N
MW545.56 g/mol
LogP6.68
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide

N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide (PubChem CID 136646086) has the molecular formula C31H26F3N3O3 and a molecular weight of 545.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide
PubChem CID136646086
Molecular FormulaC31H26F3N3O3
Molecular Weight545.56 g/mol
Exact Mass545.19
IUPAC NameN-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2cc(CCc3ccc(C(F)(F)F)cc3)nc3c4n(c(O)c23)CCC4)cc1
InChIInChI=1S/C31H26F3N3O3/c32-31(33,34)22-12-5-19(6-13-22)7-14-23-17-25(27-28(36-23)26-4-1-15-37(26)30(27)39)20-8-10-21(11-9-20)29(38)35-18-24-3-2-16-40-24/h2-3,5-6,8-13,16-17,39H,1,4,7,14-15,18H2,(H,35,38)
InChIKeyAHVPMBIUKBWPIE-UHFFFAOYSA-N
XLogP6.68
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.56
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide with MolForge

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Related Compounds

ethyl 4-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizine-3-carboxylate
CID 136653035
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N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
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CID 43156226
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CID 53282405
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CID 148633925
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
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3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076103
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide (CID 136646086) is N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide is O=C(NCc1ccco1)c1ccc(-c2cc(CCc3ccc(C(F)(F)F)cc3)nc3c4n(c(O)c23)CCC4)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide?
The InChIKey is AHVPMBIUKBWPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N3O3/c32-31(33,34)22-12-5-19(6-13-22)7-14-23-17-25(27-28(36-23)26-4-1-15-37(26)30(27)39)20-8-10-21(11-9-20)29(38)35-18-24-3-2-16-40-24/h2-3,5-6,8-13,16-17,39H,1,4,7,14-15,18H2,(H,35,38).
What are the key properties of N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide?
N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide has a molecular weight of 545.56 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[5-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-8,9-dihydro-7H-pyrido[2,3-a]pyrrolizin-4-yl]benzamide is sourced from PubChem (CID 136646086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).