1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile

C21H17F3N6O3S — CID 151826212

IUPAC1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nn2cc(C3(C#N)CC3)ccc12
InChIInChI=1S/C21H17F3N6O3S/c1-3-34(31,32)17-15-5-4-12(20(11-25)6-7-20)10-30(15)28-16(17)19-27-14-8-13(33-21(22,23)24)9-26-18(14)29(19)2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySDRACEKBBPWPSW-UHFFFAOYSA-N
MW490.47 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile

1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile (PubChem CID 151826212) has the molecular formula C21H17F3N6O3S and a molecular weight of 490.47 g/mol. Its IUPAC name is 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile
PubChem CID151826212
Molecular FormulaC21H17F3N6O3S
Molecular Weight490.47 g/mol
Exact Mass490.10
IUPAC Name1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nn2cc(C3(C#N)CC3)ccc12
InChIInChI=1S/C21H17F3N6O3S/c1-3-34(31,32)17-15-5-4-12(20(11-25)6-7-20)10-30(15)28-16(17)19-27-14-8-13(33-21(22,23)24)9-26-18(14)29(19)2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySDRACEKBBPWPSW-UHFFFAOYSA-N
XLogP3.53
TPSA115.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile (CID 151826212) is 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile is CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nn2cc(C3(C#N)CC3)ccc12.
What is the InChIKey of 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile?
The InChIKey is SDRACEKBBPWPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O3S/c1-3-34(31,32)17-15-5-4-12(20(11-25)6-7-20)10-30(15)28-16(17)19-27-14-8-13(33-21(22,23)24)9-26-18(14)29(19)2/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile?
1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile has a molecular weight of 490.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 151826212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).