3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

C26H28F3N5O4S — CID 146550455

IUPAC3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(C(O)c2ncccc2C(F)(F)F)nc2cc(C(=O)NCC3=NC=C(S(=O)(=O)CC)C(C)C3)ccn12
InChIInChI=1S/C26H28F3N5O4S/c1-4-19-23(24(35)22-18(26(27,28)29)7-6-9-30-22)33-21-12-16(8-10-34(19)21)25(36)32-13-17-11-15(3)20(14-31-17)39(37,38)5-2/h6-10,12,14-15,24,35H,4-5,11,13H2,1-3H3,(H,32,36)
InChIKeyHDAVMOIQMDSLJF-UHFFFAOYSA-N
MW563.60 g/mol
LogP3.88
Rot. Bonds8

About 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 146550455) has the molecular formula C26H28F3N5O4S and a molecular weight of 563.60 g/mol. Its IUPAC name is 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID146550455
Molecular FormulaC26H28F3N5O4S
Molecular Weight563.60 g/mol
Exact Mass563.18
IUPAC Name3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(C(O)c2ncccc2C(F)(F)F)nc2cc(C(=O)NCC3=NC=C(S(=O)(=O)CC)C(C)C3)ccn12
InChIInChI=1S/C26H28F3N5O4S/c1-4-19-23(24(35)22-18(26(27,28)29)7-6-9-30-22)33-21-12-16(8-10-34(19)21)25(36)32-13-17-11-15(3)20(14-31-17)39(37,38)5-2/h6-10,12,14-15,24,35H,4-5,11,13H2,1-3H3,(H,32,36)
InChIKeyHDAVMOIQMDSLJF-UHFFFAOYSA-N
XLogP3.88
TPSA126.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.60
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 146550455) is 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is CCc1c(C(O)c2ncccc2C(F)(F)F)nc2cc(C(=O)NCC3=NC=C(S(=O)(=O)CC)C(C)C3)ccn12.
What is the InChIKey of 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is HDAVMOIQMDSLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4S/c1-4-19-23(24(35)22-18(26(27,28)29)7-6-9-30-22)33-21-12-16(8-10-34(19)21)25(36)32-13-17-11-15(3)20(14-31-17)39(37,38)5-2/h6-10,12,14-15,24,35H,4-5,11,13H2,1-3H3,(H,32,36).
What are the key properties of 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 563.60 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-ethylsulfonyl-4-methyl-3,4-dihydropyridin-2-yl)methyl]-2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 146550455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).