5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane

C41H48F4N8O2 — CID 144669785

IUPAC5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12.Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12
InChIInChI=1S/C20H22F2N4O.C19H20F2N4O.C2H6/c1-2-12-9-23-19-16(12)5-14(10-24-19)17-6-18(13-3-4-27-11-13)26(25-17)15-7-20(21,22)8-15;1-11-8-22-18-15(11)4-13(9-23-18)16-5-17(12-2-3-26-10-12)25(24-16)14-6-19(20,21)7-14;1-2/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,23,24);4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,22,23);1-2H3
InChIKeyOTYYTHREMJXRNM-UHFFFAOYSA-N
MW760.88 g/mol
LogP9.70
Rot. Bonds7

About 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane

5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane (PubChem CID 144669785) has the molecular formula C41H48F4N8O2 and a molecular weight of 760.88 g/mol. Its IUPAC name is 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
PubChem CID144669785
Molecular FormulaC41H48F4N8O2
Molecular Weight760.88 g/mol
Exact Mass760.38
IUPAC Name5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12.Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12
InChIInChI=1S/C20H22F2N4O.C19H20F2N4O.C2H6/c1-2-12-9-23-19-16(12)5-14(10-24-19)17-6-18(13-3-4-27-11-13)26(25-17)15-7-20(21,22)8-15;1-11-8-22-18-15(11)4-13(9-23-18)16-5-17(12-2-3-26-10-12)25(24-16)14-6-19(20,21)7-14;1-2/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,23,24);4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,22,23);1-2H3
InChIKeyOTYYTHREMJXRNM-UHFFFAOYSA-N
XLogP9.70
TPSA111.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane with MolForge

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Related Compounds

5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 90292741
5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 78318927
5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 78318374
5-[1-(3,3-difluorocyclopentyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318434
5-(1-(cyclopropylmethyl)-5-(tetrahydrofuran-3-yl)-1H-pyrazol-3-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318435
5-[1-(cyclopropylmethyl)-5-[(3S)-oxolan-3-yl]pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318436
5-[1-(cyclopropylmethyl)-5-[(3R)-oxolan-3-yl]pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318437
5-(1-(3,3-difluorocyclopentyl)-5-(tetrahydrofuran-3-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 78318438
5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 78318440
5-(1-(3,3-difluorocyclobutyl)-5-(tetrahydrofuran-3-yl)-1H-pyrazol-3-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318498
5-[1-[(1R)-3,3-difluorocyclopentyl]-5-[(3R)-oxolan-3-yl]pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 78318502
5-[1,5-bis[(3S)-oxolan-3-yl]pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 78318503

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane (CID 144669785) is 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane is CC.CCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12.Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12.
What is the InChIKey of 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The InChIKey is OTYYTHREMJXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O.C19H20F2N4O.C2H6/c1-2-12-9-23-19-16(12)5-14(10-24-19)17-6-18(13-3-4-27-11-13)26(25-17)15-7-20(21,22)8-15;1-11-8-22-18-15(11)4-13(9-23-18)16-5-17(12-2-3-26-10-12)25(24-16)14-6-19(20,21)7-14;1-2/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,23,24);4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,22,23);1-2H3.
What are the key properties of 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane has a molecular weight of 760.88 g/mol, XLogP of 9.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-ethyl-1H-pyrrolo[2,3-b]pyridine;5-[1-(3,3-difluorocyclobutyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 144669785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).