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

C21H20N8OS — CID 118167996

IUPAC8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C21H20N8OS/c1-12-4-5-18(31-12)17-8-22-20-16(15-7-25-28(3)9-15)6-14(10-29(17)20)21(30)26-13(2)19-23-11-24-27-19/h4-11,13H,1-3H3,(H,26,30)(H,23,24,27)/t13-/m0/s1
InChIKeyCBPOIVXOEKZJMT-ZDUSSCGKSA-N
MW432.51 g/mol
LogP3.38
Rot. Bonds5

About 8-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 118167996) has the molecular formula C21H20N8OS and a molecular weight of 432.51 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 CID118167996
Molecular FormulaC21H20N8OS
Molecular Weight432.51 g/mol
Exact Mass432.15
IUPAC Name8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C21H20N8OS/c1-12-4-5-18(31-12)17-8-22-20-16(15-7-25-28(3)9-15)6-14(10-29(17)20)21(30)26-13(2)19-23-11-24-27-19/h4-11,13H,1-3H3,(H,26,30)(H,23,24,27)/t13-/m0/s1
InChIKeyCBPOIVXOEKZJMT-ZDUSSCGKSA-N
XLogP3.38
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 118167996) is 8-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-(1-methylpyrazol-4-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 CBPOIVXOEKZJMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20N8OS/c1-12-4-5-18(31-12)17-8-22-20-16(15-7-25-28(3)9-15)6-14(10-29(17)20)21(30)26-13(2)19-23-11-24-27-19/h4-11,13H,1-3H3,(H,26,30)(H,23,24,27)/t13-/m0/s1.
What are the key properties of 8-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 432.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-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 118167996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).