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

C22H25N7O2S — CID 118168210

IUPAC8-(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
SMILESCOC1CCN(c2cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn3c(-c4ccc(C)s4)cnc23)C1
InChIInChI=1S/C22H25N7O2S/c1-13-4-5-19(32-13)18-9-23-21-17(28-7-6-16(11-28)31-3)8-15(10-29(18)21)22(30)26-14(2)20-24-12-25-27-20/h4-5,8-10,12,14,16H,6-7,11H2,1-3H3,(H,26,30)(H,24,25,27)/t14-,16?/m0/s1
InChIKeyNLPIUNCHPUFIRE-LBAUFKAWSA-N
MW451.56 g/mol
LogP3.21
Rot. Bonds6

About 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

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 (PubChem CID 118168210) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID118168210
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name8-(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
SMILESCOC1CCN(c2cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn3c(-c4ccc(C)s4)cnc23)C1
InChIInChI=1S/C22H25N7O2S/c1-13-4-5-19(32-13)18-9-23-21-17(28-7-6-16(11-28)31-3)8-15(10-29(18)21)22(30)26-14(2)20-24-12-25-27-20/h4-5,8-10,12,14,16H,6-7,11H2,1-3H3,(H,26,30)(H,24,25,27)/t14-,16?/m0/s1
InChIKeyNLPIUNCHPUFIRE-LBAUFKAWSA-N
XLogP3.21
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1CCN(c2cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn3c(-c4ccc(C)s4)cnc23)C1.
What is the InChIKey of 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?
The InChIKey is NLPIUNCHPUFIRE-LBAUFKAWSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-13-4-5-19(32-13)18-9-23-21-17(28-7-6-16(11-28)31-3)8-15(10-29(18)21)22(30)26-14(2)20-24-12-25-27-20/h4-5,8-10,12,14,16H,6-7,11H2,1-3H3,(H,26,30)(H,24,25,27)/t14-,16?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 451.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118168210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).