6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

C22H25ClN4O5S — CID 171552605

IUPAC6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1
InChIInChI=1S/C22H25ClN4O5S/c1-4-31-17-11-15(23)12-24-21(17)32-16-5-6-18-25-19(14(2)27(18)13-16)20(28)26-22(3)7-9-33(29,30)10-8-22/h5-6,11-13H,4,7-10H2,1-3H3,(H,26,28)
InChIKeyDZHYRXNZTLRCSU-UHFFFAOYSA-N
MW492.99 g/mol
LogP3.58
Rot. Bonds6

About 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552605) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171552605
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1
InChIInChI=1S/C22H25ClN4O5S/c1-4-31-17-11-15(23)12-24-21(17)32-16-5-6-18-25-19(14(2)27(18)13-16)20(28)26-22(3)7-9-33(29,30)10-8-22/h5-6,11-13H,4,7-10H2,1-3H3,(H,26,28)
InChIKeyDZHYRXNZTLRCSU-UHFFFAOYSA-N
XLogP3.58
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171552605) is 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1.
What is the InChIKey of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DZHYRXNZTLRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-4-31-17-11-15(23)12-24-21(17)32-16-5-6-18-25-19(14(2)27(18)13-16)20(28)26-22(3)7-9-33(29,30)10-8-22/h5-6,11-13H,4,7-10H2,1-3H3,(H,26,28).
What are the key properties of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 492.99 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).