1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile

C20H19F2N5S — CID 146272307

IUPAC1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(C)(F)F)cnc2n1C
InChIInChI=1S/C20H19F2N5S/c1-4-28-15-8-13(20(11-23)5-6-20)10-24-16(15)18-26-14-7-12(19(2,21)22)9-25-17(14)27(18)3/h7-10H,4-6H2,1-3H3
InChIKeyDESDJMINPYROAK-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.81
Rot. Bonds5

About 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile

1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 146272307) has the molecular formula C20H19F2N5S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
PubChem CID146272307
Molecular FormulaC20H19F2N5S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(C)(F)F)cnc2n1C
InChIInChI=1S/C20H19F2N5S/c1-4-28-15-8-13(20(11-23)5-6-20)10-24-16(15)18-26-14-7-12(19(2,21)22)9-25-17(14)27(18)3/h7-10H,4-6H2,1-3H3
InChIKeyDESDJMINPYROAK-UHFFFAOYSA-N
XLogP4.81
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile (CID 146272307) is 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile is CCSc1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(C)(F)F)cnc2n1C.
What is the InChIKey of 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile?
The InChIKey is DESDJMINPYROAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5S/c1-4-28-15-8-13(20(11-23)5-6-20)10-24-16(15)18-26-14-7-12(19(2,21)22)9-25-17(14)27(18)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile?
1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 399.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 146272307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).