2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

C73H79FN24O8S4 — CID 157103163

IUPAC2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCC(C)(C)S(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CC1(S(=O)(=O)N2CC(CC#N)(n3cc(-c4ccnc5[nH]ccc45)cn3)C2)CC1.CCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CCS(=O)(=O)N1CC(CF)(n2cc(-c3c(C#N)cnc4[nH]ccc34)cn2)C1
InChIInChI=1S/C19H20N6O2S.C19H22N6O2S.C18H20N6O2S.C17H17FN6O2S/c1-18(4-5-18)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-2-8-21-17-16(15)3-9-22-17;1-18(2,3)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-4-8-21-17-16(15)5-9-22-17;1-2-9-27(25,26)23-12-18(13-23,5-6-19)24-11-14(10-22-24)15-3-7-20-17-16(15)4-8-21-17;1-2-27(25,26)23-10-17(9-18,11-23)24-8-13(7-22-24)15-12(5-19)6-21-16-14(15)3-4-20-16/h2-3,8-11H,4-6,12-13H2,1H3,(H,21,22);4-5,8-11H,6,12-13H2,1-3H3,(H,21,22);3-4,7-8,10-11H,2,5,9,12-13H2,1H3,(H,20,21);3-4,6-8H,2,9-11H2,1H3,(H,20,21)
InChIKeyAFZQINOXOCMUSB-UHFFFAOYSA-N
MW1567.86 g/mol
LogP8.43
Rot. Bonds20

About 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 157103163) has the molecular formula C73H79FN24O8S4 and a molecular weight of 1567.86 g/mol. Its IUPAC name is 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID157103163
Molecular FormulaC73H79FN24O8S4
Molecular Weight1567.86 g/mol
Exact Mass1566.54
IUPAC Name2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCC(C)(C)S(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CC1(S(=O)(=O)N2CC(CC#N)(n3cc(-c4ccnc5[nH]ccc45)cn3)C2)CC1.CCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CCS(=O)(=O)N1CC(CF)(n2cc(-c3c(C#N)cnc4[nH]ccc34)cn2)C1
InChIInChI=1S/C19H20N6O2S.C19H22N6O2S.C18H20N6O2S.C17H17FN6O2S/c1-18(4-5-18)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-2-8-21-17-16(15)3-9-22-17;1-18(2,3)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-4-8-21-17-16(15)5-9-22-17;1-2-9-27(25,26)23-12-18(13-23,5-6-19)24-11-14(10-22-24)15-3-7-20-17-16(15)4-8-21-17;1-2-27(25,26)23-10-17(9-18,11-23)24-8-13(7-22-24)15-12(5-19)6-21-16-14(15)3-4-20-16/h2-3,8-11H,4-6,12-13H2,1H3,(H,21,22);4-5,8-11H,6,12-13H2,1-3H3,(H,21,22);3-4,7-8,10-11H,2,5,9,12-13H2,1H3,(H,20,21);3-4,6-8H,2,9-11H2,1H3,(H,20,21)
InChIKeyAFZQINOXOCMUSB-UHFFFAOYSA-N
XLogP8.43
TPSA430.68 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.86
LogP ≤ 58.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-ethylsulfonyl-3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129236766
US9999619, Example 357
CID 58431427
4-[1-[3-(cyanomethyl)-1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236935
4-[1-[3-(cyanomethyl)-1-(1-methylcyclopropyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236891
2-[1-cyclopropylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129236908
4-[1-[3-(cyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236937
4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236941
4-[1-[3-(cyanomethyl)-1-propan-2-ylsulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236944
2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129237019
1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile
CID 129237029
2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129237035
4-[1-[3-(1-cyanoethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 129236920

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 157103163) is 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile is CC(C)(C)S(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CC1(S(=O)(=O)N2CC(CC#N)(n3cc(-c4ccnc5[nH]ccc45)cn3)C2)CC1.CCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.CCS(=O)(=O)N1CC(CF)(n2cc(-c3c(C#N)cnc4[nH]ccc34)cn2)C1.
What is the InChIKey of 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is AFZQINOXOCMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S.C19H22N6O2S.C18H20N6O2S.C17H17FN6O2S/c1-18(4-5-18)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-2-8-21-17-16(15)3-9-22-17;1-18(2,3)28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-23-25)15-4-8-21-17-16(15)5-9-22-17;1-2-9-27(25,26)23-12-18(13-23,5-6-19)24-11-14(10-22-24)15-3-7-20-17-16(15)4-8-21-17;1-2-27(25,26)23-10-17(9-18,11-23)24-8-13(7-22-24)15-12(5-19)6-21-16-14(15)3-4-20-16/h2-3,8-11H,4-6,12-13H2,1H3,(H,21,22);4-5,8-11H,6,12-13H2,1-3H3,(H,21,22);3-4,7-8,10-11H,2,5,9,12-13H2,1H3,(H,20,21);3-4,6-8H,2,9-11H2,1H3,(H,20,21).
What are the key properties of 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 1567.86 g/mol, XLogP of 8.43, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;4-[1-[1-ethylsulfonyl-3-(fluoromethyl)azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;2-[1-(1-methylcyclopropyl)sulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 157103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).