5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine

C25H25F2N3O3 — CID 160660160

IUPAC5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCOc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCOCC5)c4)cc32)c1F
InChIInChI=1S/C25H25F2N3O3/c1-31-22-11-23(32-2)25(27)20(24(22)26)9-15-3-4-21-19(15)10-16(12-28-21)17-13-29-30(14-17)18-5-7-33-8-6-18/h3,10-14,18H,4-9H2,1-2H3
InChIKeyRLOJMNBKCWUPAY-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.77
Rot. Bonds6

About 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine (PubChem CID 160660160) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine
PubChem CID160660160
Molecular FormulaC25H25F2N3O3
Molecular Weight453.49 g/mol
Exact Mass453.19
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCOc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCOCC5)c4)cc32)c1F
InChIInChI=1S/C25H25F2N3O3/c1-31-22-11-23(32-2)25(27)20(24(22)26)9-15-3-4-21-19(15)10-16(12-28-21)17-13-29-30(14-17)18-5-7-33-8-6-18/h3,10-14,18H,4-9H2,1-2H3
InChIKeyRLOJMNBKCWUPAY-UHFFFAOYSA-N
XLogP4.77
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 146304387
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridine
CID 158691041
4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 158034909
3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161452429
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 162202898
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
CID 24960394
tert-butyl 3-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 159315194
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
3-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethoxy)aniline
CID 171391076
4-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol
CID 158631444

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine (CID 160660160) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine is COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCOCC5)c4)cc32)c1F.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine?
The InChIKey is RLOJMNBKCWUPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-31-22-11-23(32-2)25(27)20(24(22)26)9-15-3-4-21-19(15)10-16(12-28-21)17-13-29-30(14-17)18-5-7-33-8-6-18/h3,10-14,18H,4-9H2,1-2H3.
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine?
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine has a molecular weight of 453.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 160660160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).