N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C18H21N3O2S — CID 25095226

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2ccccn12
InChIInChI=1S/C18H21N3O2S/c1-12(2)9-14(10-22)19-18(23)17-16(13-6-8-24-11-13)20-15-5-3-4-7-21(15)17/h3-8,11-12,14,22H,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyCYPWPIDPHUTLCE-AWEZNQCLSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 25095226) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID25095226
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2ccccn12
InChIInChI=1S/C18H21N3O2S/c1-12(2)9-14(10-22)19-18(23)17-16(13-6-8-24-11-13)20-15-5-3-4-7-21(15)17/h3-8,11-12,14,22H,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyCYPWPIDPHUTLCE-AWEZNQCLSA-N
XLogP3.20
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 25095226) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2ccccn12.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CYPWPIDPHUTLCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(2)9-14(10-22)19-18(23)17-16(13-6-8-24-11-13)20-15-5-3-4-7-21(15)17/h3-8,11-12,14,22H,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 25095226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).