6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide

C23H25N5OS — CID 58208015

IUPAC6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCNC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C23H25N5OS/c1-4-15(3)26-23-25-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-27-19(14-28(21)13-17)22(29)24-5-2/h6-15H,4-5H2,1-3H3,(H,24,29)(H,25,26)/t15-/m1/s1
InChIKeyWXZMCFLTACWUCL-OAHLLOKOSA-N
MW419.55 g/mol
LogP5.08
Rot. Bonds7

About 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide

6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 58208015) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID58208015
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCNC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C23H25N5OS/c1-4-15(3)26-23-25-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-27-19(14-28(21)13-17)22(29)24-5-2/h6-15H,4-5H2,1-3H3,(H,24,29)(H,25,26)/t15-/m1/s1
InChIKeyWXZMCFLTACWUCL-OAHLLOKOSA-N
XLogP5.08
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide (CID 58208015) is 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide is CCNC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1.
What is the InChIKey of 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WXZMCFLTACWUCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-4-15(3)26-23-25-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-27-19(14-28(21)13-17)22(29)24-5-2/h6-15H,4-5H2,1-3H3,(H,24,29)(H,25,26)/t15-/m1/s1.
What are the key properties of 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide?
6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-N-ethyl-8-phenylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 58208015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).