8-[1-(2-fluoroethyl)pyrazol-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

C22H21FN8OS — CID 118168290

IUPAC8-[1-(2-fluoroethyl)pyrazol-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(CCF)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H21FN8OS/c1-13-3-4-19(33-13)18-9-24-21-17(16-8-27-30(10-16)6-5-23)7-15(11-31(18)21)22(32)28-14(2)20-25-12-26-29-20/h3-4,7-12,14H,5-6H2,1-2H3,(H,28,32)(H,25,26,29)/t14-/m0/s1
InChIKeyHHYZHDJUPTZXPW-AWEZNQCLSA-N
MW464.53 g/mol
LogP3.81
Rot. Bonds7

About 8-[1-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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 118168290) has the molecular formula C22H21FN8OS and a molecular weight of 464.53 g/mol. Its IUPAC name is 8-[1-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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 CID118168290
Molecular FormulaC22H21FN8OS
Molecular Weight464.53 g/mol
Exact Mass464.15
IUPAC Name8-[1-(2-fluoroethyl)pyrazol-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(CCF)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H21FN8OS/c1-13-3-4-19(33-13)18-9-24-21-17(16-8-27-30(10-16)6-5-23)7-15(11-31(18)21)22(32)28-14(2)20-25-12-26-29-20/h3-4,7-12,14H,5-6H2,1-2H3,(H,28,32)(H,25,26,29)/t14-/m0/s1
InChIKeyHHYZHDJUPTZXPW-AWEZNQCLSA-N
XLogP3.81
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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 118168290) is 8-[1-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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(CCF)c4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-[1-(2-fluoroethyl)pyrazol-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 HHYZHDJUPTZXPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21FN8OS/c1-13-3-4-19(33-13)18-9-24-21-17(16-8-27-30(10-16)6-5-23)7-15(11-31(18)21)22(32)28-14(2)20-25-12-26-29-20/h3-4,7-12,14H,5-6H2,1-2H3,(H,28,32)(H,25,26,29)/t14-/m0/s1.
What are the key properties of 8-[1-(2-fluoroethyl)pyrazol-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-(2-fluoroethyl)pyrazol-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 464.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-fluoroethyl)pyrazol-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 118168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).