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

C22H21N9O2S — CID 118168229

IUPAC8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(CC(N)=O)c4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H21N9O2S/c1-12-3-4-18(34-12)17-7-24-21-16(15-6-27-30(8-15)10-19(23)32)5-14(9-31(17)21)22(33)28-13(2)20-25-11-26-29-20/h3-9,11,13H,10H2,1-2H3,(H2,23,32)(H,28,33)(H,25,26,29)
InChIKeyCDWIOGPBFDELHI-UHFFFAOYSA-N
MW475.54 g/mol
LogP2.33
Rot. Bonds7

About 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168229) has the molecular formula C22H21N9O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168229
Molecular FormulaC22H21N9O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(CC(N)=O)c4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H21N9O2S/c1-12-3-4-18(34-12)17-7-24-21-16(15-6-27-30(8-15)10-19(23)32)5-14(9-31(17)21)22(33)28-13(2)20-25-11-26-29-20/h3-9,11,13H,10H2,1-2H3,(H2,23,32)(H,28,33)(H,25,26,29)
InChIKeyCDWIOGPBFDELHI-UHFFFAOYSA-N
XLogP2.33
TPSA148.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168229) is 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(-c4cnn(CC(N)=O)c4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CDWIOGPBFDELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2S/c1-12-3-4-18(34-12)17-7-24-21-16(15-6-27-30(8-15)10-19(23)32)5-14(9-31(17)21)22(33)28-13(2)20-25-11-26-29-20/h3-9,11,13H,10H2,1-2H3,(H2,23,32)(H,28,33)(H,25,26,29).
What are the key properties of 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).