[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C20H16F2N4O2 — CID 58086202

IUPAC[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)n(C)n1
InChIInChI=1S/C20H16F2N4O2/c1-11-8-12(26(2)25-11)10-28-16-6-5-15(21)17(18(16)22)19(27)14-9-24-20-13(14)4-3-7-23-20/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyGXALAAGFTBFIGZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.69
Rot. Bonds5

About [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58086202) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58086202
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)n(C)n1
InChIInChI=1S/C20H16F2N4O2/c1-11-8-12(26(2)25-11)10-28-16-6-5-15(21)17(18(16)22)19(27)14-9-24-20-13(14)4-3-7-23-20/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyGXALAAGFTBFIGZ-UHFFFAOYSA-N
XLogP3.69
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
[3-[(2-chloro-4-phosphanylphenyl)methoxy]-6-fluoro-2-phosphanylphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;ethane
CID 143384840
1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 172701145
[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384201
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086108
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
[2,6-difluoro-3-(2-methoxyethoxy)phenyl]-[5-[(2E,4Z)-5-(methylamino)penta-2,4-dien-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 89260729
(2,6-difluoro-3-methylphenyl)-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384890

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58086202) is [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1cc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)n(C)n1.
What is the InChIKey of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is GXALAAGFTBFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11-8-12(26(2)25-11)10-28-16-6-5-15(21)17(18(16)22)19(27)14-9-24-20-13(14)4-3-7-23-20/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 382.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58086202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).