2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C29H22F4N4O3 — CID 147259300

IUPAC2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1cc(C2=Cc3cc(-c4ccc(CC(=O)Nc5cnc(OC)c(C(F)(F)F)c5)c(F)c4)cnc3C2)ccn1
InChIInChI=1S/C29H22F4N4O3/c1-39-27-12-17(5-6-34-27)19-7-20-8-21(14-35-25(20)10-19)16-3-4-18(24(30)9-16)11-26(38)37-22-13-23(29(31,32)33)28(40-2)36-15-22/h3-9,12-15H,10-11H2,1-2H3,(H,37,38)
InChIKeyCOFXRVCMIHRZNQ-UHFFFAOYSA-N
MW550.51 g/mol
LogP5.99
Rot. Bonds7

About 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 147259300) has the molecular formula C29H22F4N4O3 and a molecular weight of 550.51 g/mol. Its IUPAC name is 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID147259300
Molecular FormulaC29H22F4N4O3
Molecular Weight550.51 g/mol
Exact Mass550.16
IUPAC Name2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1cc(C2=Cc3cc(-c4ccc(CC(=O)Nc5cnc(OC)c(C(F)(F)F)c5)c(F)c4)cnc3C2)ccn1
InChIInChI=1S/C29H22F4N4O3/c1-39-27-12-17(5-6-34-27)19-7-20-8-21(14-35-25(20)10-19)16-3-4-18(24(30)9-16)11-26(38)37-22-13-23(29(31,32)33)28(40-2)36-15-22/h3-9,12-15H,10-11H2,1-2H3,(H,37,38)
InChIKeyCOFXRVCMIHRZNQ-UHFFFAOYSA-N
XLogP5.99
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166877140
2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 147498797
2-[2-fluoro-4-[2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166877167
N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[4-[6-(3-methoxyprop-1-ynyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]acetamide
CID 158149472
2,2,2-trifluoro-N-[3-[4-[2-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-5-yl]acetamide
CID 160603332
2-[3-fluoro-4-[2-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423504
N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide
CID 162045156
2-[4-[2-(3,3-dimethylbut-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423410
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2,5-difluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 148657349
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
2-[3-fluoro-4-[2-(1H-pyrazol-4-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162220958
2-[4-(6-butoxy-4-ethoxy-3-pyridinyl)-2-fluorophenyl]-N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 90435613

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 147259300) is 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1cc(C2=Cc3cc(-c4ccc(CC(=O)Nc5cnc(OC)c(C(F)(F)F)c5)c(F)c4)cnc3C2)ccn1.
What is the InChIKey of 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is COFXRVCMIHRZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N4O3/c1-39-27-12-17(5-6-34-27)19-7-20-8-21(14-35-25(20)10-19)16-3-4-18(24(30)9-16)11-26(38)37-22-13-23(29(31,32)33)28(40-2)36-15-22/h3-9,12-15H,10-11H2,1-2H3,(H,37,38).
What are the key properties of 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 550.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 147259300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).