8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C23H27N7O2S — CID 140746530

IUPAC8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CCCN(c2cc(C(N)=O)cn3c(-c4ccc(C)s4)c([C@H](C)c4ncn[nH]4)nc23)C1
InChIInChI=1S/C23H27N7O2S/c1-13-6-7-18(33-13)20-19(14(2)22-25-12-26-28-22)27-23-17(9-15(21(24)31)10-30(20)23)29-8-4-5-16(11-29)32-3/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3,(H2,24,31)(H,25,26,28)/t14-,16?/m0/s1
InChIKeyNNFJLTNAOWYPKD-LBAUFKAWSA-N
MW465.58 g/mol
LogP3.36
Rot. Bonds6

About 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 140746530) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID140746530
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC Name8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CCCN(c2cc(C(N)=O)cn3c(-c4ccc(C)s4)c([C@H](C)c4ncn[nH]4)nc23)C1
InChIInChI=1S/C23H27N7O2S/c1-13-6-7-18(33-13)20-19(14(2)22-25-12-26-28-22)27-23-17(9-15(21(24)31)10-30(20)23)29-8-4-5-16(11-29)32-3/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3,(H2,24,31)(H,25,26,28)/t14-,16?/m0/s1
InChIKeyNNFJLTNAOWYPKD-LBAUFKAWSA-N
XLogP3.36
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

8-(3-methoxypyrrolidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168210
8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167974
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958284
2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
CID 102964173
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 154436542
N-[[4-(3-methoxypiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 102967869
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 140746530) is 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is COC1CCCN(c2cc(C(N)=O)cn3c(-c4ccc(C)s4)c([C@H](C)c4ncn[nH]4)nc23)C1.
What is the InChIKey of 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NNFJLTNAOWYPKD-LBAUFKAWSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-13-6-7-18(33-13)20-19(14(2)22-25-12-26-28-22)27-23-17(9-15(21(24)31)10-30(20)23)29-8-4-5-16(11-29)32-3/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3,(H2,24,31)(H,25,26,28)/t14-,16?/m0/s1.
What are the key properties of 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypiperidin-1-yl)-3-(5-methylthiophen-2-yl)-2-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 140746530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).