4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide

C26H29BrFN3O — CID 177354892

IUPAC4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(F)c1C1=CCN(C(C)C2=Cc3c(Br)ccnc3[C@@H]2C)CC1
InChIInChI=1S/C26H29BrFN3O/c1-15-12-19(26(32)30(4)5)13-23(28)24(15)18-7-10-31(11-8-18)17(3)20-14-21-22(27)6-9-29-25(21)16(20)2/h6-7,9,12-14,16-17H,8,10-11H2,1-5H3/t16-,17?/m1/s1
InChIKeyOOBYYDXOKIBPCF-TZHYSIJRSA-N
MW498.44 g/mol
LogP5.67
Rot. Bonds4

About 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide

4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide (PubChem CID 177354892) has the molecular formula C26H29BrFN3O and a molecular weight of 498.44 g/mol. Its IUPAC name is 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
PubChem CID177354892
Molecular FormulaC26H29BrFN3O
Molecular Weight498.44 g/mol
Exact Mass497.15
IUPAC Name4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(F)c1C1=CCN(C(C)C2=Cc3c(Br)ccnc3[C@@H]2C)CC1
InChIInChI=1S/C26H29BrFN3O/c1-15-12-19(26(32)30(4)5)13-23(28)24(15)18-7-10-31(11-8-18)17(3)20-14-21-22(27)6-9-29-25(21)16(20)2/h6-7,9,12-14,16-17H,8,10-11H2,1-5H3/t16-,17?/m1/s1
InChIKeyOOBYYDXOKIBPCF-TZHYSIJRSA-N
XLogP5.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide with MolForge

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Related Compounds

4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353906
3-fluoro-N,N,5-trimethyl-4-[1-[(1R)-1-[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177354192
4-[1-[(1S)-1-[4-(4-amino-5-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177300945
3-fluoro-N,N,5-trimethyl-4-[1-[(1S)-1-[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353897
3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
CID 177301189
4-[1-[(3E,5Z,7Z)-6-(5-amino-2-pyridinyl)-8-(dimethylamino)-3,5-dimethylocta-3,5,7-trien-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353968
4-[1-[(E)-4-(4-bromo-2-methyl-3-pyridinyl)-3-methylbut-3-en-2-yl]-3,3-difluoro-2,6-dihydropyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353750
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide;ethane
CID 177353959
3-fluoro-N,N,5-trimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[methyl(propyl)boranyl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177356263
4-[1-[(1S)-1-[4-(4-amino-5-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-5-methylbenzoic acid
CID 177300788
4-[1-[[4-(4-amino-3-methyl-2-oxopyridin-1-ium-1-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353237
3-amino-4-[1-[(E)-4-[4-[[(E)-3-aminobut-2-enoyl]-fluoroamino]-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
CID 177353406

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide?
The IUPAC name of 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide (CID 177354892) is 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide.
What is the SMILES notation for 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide?
The canonical SMILES for 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide is Cc1cc(C(=O)N(C)C)cc(F)c1C1=CCN(C(C)C2=Cc3c(Br)ccnc3[C@@H]2C)CC1.
What is the InChIKey of 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide?
The InChIKey is OOBYYDXOKIBPCF-TZHYSIJRSA-N. The full InChI is InChI=1S/C26H29BrFN3O/c1-15-12-19(26(32)30(4)5)13-23(28)24(15)18-7-10-31(11-8-18)17(3)20-14-21-22(27)6-9-29-25(21)16(20)2/h6-7,9,12-14,16-17H,8,10-11H2,1-5H3/t16-,17?/m1/s1.
What are the key properties of 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide?
4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide has a molecular weight of 498.44 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide is sourced from PubChem (CID 177354892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).