N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide

C20H22F3N5OS — CID 142621072

IUPACN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide
SMILESCCSc1cc(N(C(C)=O)C(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C20H22F3N5OS/c1-6-30-16-7-13(28(11(2)3)12(4)29)9-25-18(16)19-26-14-8-17(20(21,22)23)24-10-15(14)27(19)5/h7-11H,6H2,1-5H3
InChIKeyKMRGNDKYTMQGEO-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.92
Rot. Bonds5

About N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide

N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 142621072) has the molecular formula C20H22F3N5OS and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide
PubChem CID142621072
Molecular FormulaC20H22F3N5OS
Molecular Weight437.49 g/mol
Exact Mass437.15
IUPAC NameN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide
SMILESCCSc1cc(N(C(C)=O)C(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C20H22F3N5OS/c1-6-30-16-7-13(28(11(2)3)12(4)29)9-25-18(16)19-26-14-8-17(20(21,22)23)24-10-15(14)27(19)5/h7-11H,6H2,1-5H3
InChIKeyKMRGNDKYTMQGEO-UHFFFAOYSA-N
XLogP4.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide (CID 142621072) is N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide is CCSc1cc(N(C(C)=O)C(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is KMRGNDKYTMQGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5OS/c1-6-30-16-7-13(28(11(2)3)12(4)29)9-25-18(16)19-26-14-8-17(20(21,22)23)24-10-15(14)27(19)5/h7-11H,6H2,1-5H3.
What are the key properties of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide?
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 437.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 142621072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).