6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide

C19H20F3N5OS — CID 135299002

IUPAC6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide
SMILESCCSc1ccc(C(=O)N(C)C)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C
InChIInChI=1S/C19H20F3N5OS/c1-6-29-13-8-7-11(18(28)26(3)4)24-15(13)17-25-12-9-14(19(20,21)22)23-10(2)16(12)27(17)5/h7-9H,6H2,1-5H3
InChIKeyPDGCKKHOUNXDOA-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.17
Rot. Bonds4

About 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide

6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide (PubChem CID 135299002) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide
PubChem CID135299002
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide
SMILESCCSc1ccc(C(=O)N(C)C)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C
InChIInChI=1S/C19H20F3N5OS/c1-6-29-13-8-7-11(18(28)26(3)4)24-15(13)17-25-12-9-14(19(20,21)22)23-10(2)16(12)27(17)5/h7-9H,6H2,1-5H3
InChIKeyPDGCKKHOUNXDOA-UHFFFAOYSA-N
XLogP4.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide (CID 135299002) is 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide is CCSc1ccc(C(=O)N(C)C)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C.
What is the InChIKey of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is PDGCKKHOUNXDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-6-29-13-8-7-11(18(28)26(3)4)24-15(13)17-25-12-9-14(19(20,21)22)23-10(2)16(12)27(17)5/h7-9H,6H2,1-5H3.
What are the key properties of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide?
6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 135299002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).