N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H20N6O3S2 — CID 118160902

IUPACN-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCN(C)c1ncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)s1
InChIInChI=1S/C20H20N6O3S2/c1-3-25(2)20-24-12-18(30-20)31(28,29)16-6-5-15(22-11-16)10-23-19(27)14-4-7-17-21-8-9-26(17)13-14/h4-9,11-13H,3,10H2,1-2H3,(H,23,27)
InChIKeyGWSPEMXWGSZZHB-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.40
Rot. Bonds7

About N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118160902) has the molecular formula C20H20N6O3S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118160902
Molecular FormulaC20H20N6O3S2
Molecular Weight456.55 g/mol
Exact Mass456.10
IUPAC NameN-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCN(C)c1ncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)s1
InChIInChI=1S/C20H20N6O3S2/c1-3-25(2)20-24-12-18(30-20)31(28,29)16-6-5-15(22-11-16)10-23-19(27)14-4-7-17-21-8-9-26(17)13-14/h4-9,11-13H,3,10H2,1-2H3,(H,23,27)
InChIKeyGWSPEMXWGSZZHB-UHFFFAOYSA-N
XLogP2.40
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118160902) is N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CCN(C)c1ncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)s1.
What is the InChIKey of N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GWSPEMXWGSZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S2/c1-3-25(2)20-24-12-18(30-20)31(28,29)16-6-5-15(22-11-16)10-23-19(27)14-4-7-17-21-8-9-26(17)13-14/h4-9,11-13H,3,10H2,1-2H3,(H,23,27).
What are the key properties of N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118160902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).