6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one

C16H13F2N5O2S — CID 134490165

IUPAC6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1noc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)F)s4)cc32)n1
InChIInChI=1S/C16H13F2N5O2S/c1-8-20-13(25-21-8)7-23-10-5-9(6-19-15(10)22(2)16(23)24)11-3-4-12(26-11)14(17)18/h3-6,14H,7H2,1-2H3
InChIKeyZMVMKYQRVMPWJJ-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.14
Rot. Bonds4

About 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one

6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134490165) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
PubChem CID134490165
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1noc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)F)s4)cc32)n1
InChIInChI=1S/C16H13F2N5O2S/c1-8-20-13(25-21-8)7-23-10-5-9(6-19-15(10)22(2)16(23)24)11-3-4-12(26-11)14(17)18/h3-6,14H,7H2,1-2H3
InChIKeyZMVMKYQRVMPWJJ-UHFFFAOYSA-N
XLogP3.14
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one (CID 134490165) is 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one is Cc1noc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)F)s4)cc32)n1.
What is the InChIKey of 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZMVMKYQRVMPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c1-8-20-13(25-21-8)7-23-10-5-9(6-19-15(10)22(2)16(23)24)11-3-4-12(26-11)14(17)18/h3-6,14H,7H2,1-2H3.
What are the key properties of 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one?
6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 377.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).