N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide

C22H20F3N5O2S — CID 168957013

IUPACN-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
SMILESN#Cc1nccc(C(F)F)c1-c1nc2c(cc1F)c(CNS(=O)(=O)C1CC1)cn2C1CCC1
InChIInChI=1S/C22H20F3N5O2S/c23-17-8-16-12(10-28-33(31,32)14-4-5-14)11-30(13-2-1-3-13)22(16)29-20(17)19-15(21(24)25)6-7-27-18(19)9-26/h6-8,11,13-14,21,28H,1-5,10H2
InChIKeyNVSKISZQCQRWJX-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.35
Rot. Bonds7

About N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide

N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 168957013) has the molecular formula C22H20F3N5O2S and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID168957013
Molecular FormulaC22H20F3N5O2S
Molecular Weight475.50 g/mol
Exact Mass475.13
IUPAC NameN-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
SMILESN#Cc1nccc(C(F)F)c1-c1nc2c(cc1F)c(CNS(=O)(=O)C1CC1)cn2C1CCC1
InChIInChI=1S/C22H20F3N5O2S/c23-17-8-16-12(10-28-33(31,32)14-4-5-14)11-30(13-2-1-3-13)22(16)29-20(17)19-15(21(24)25)6-7-27-18(19)9-26/h6-8,11,13-14,21,28H,1-5,10H2
InChIKeyNVSKISZQCQRWJX-UHFFFAOYSA-N
XLogP4.35
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
CID 168956918
N-[[6-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-5-fluoro-1-(3-fluorocyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
CID 168956751
N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956874
N-[(1S)-1-[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclobutanesulfonamide
CID 175920965
3-[3-[(cyclopropylsulfanylamino)methyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-6-yl]-4-(difluoromethyl)pyridine-2-carbonitrile
CID 168956888
(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 168956774
N-[1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304510
N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 166911462
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956789
N-[[1-cyclobutyl-5-fluoro-6-[5-methyl-2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfinamide
CID 168956820
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclobutanesulfonamide
CID 168956980

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide (CID 168957013) is N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide is N#Cc1nccc(C(F)F)c1-c1nc2c(cc1F)c(CNS(=O)(=O)C1CC1)cn2C1CCC1.
What is the InChIKey of N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is NVSKISZQCQRWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2S/c23-17-8-16-12(10-28-33(31,32)14-4-5-14)11-30(13-2-1-3-13)22(16)29-20(17)19-15(21(24)25)6-7-27-18(19)9-26/h6-8,11,13-14,21,28H,1-5,10H2.
What are the key properties of N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide?
N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 475.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 168957013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).