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

C23H26FN7OS — CID 118168066

IUPAC8-[4-(fluoromethyl)piperidin-1-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(N4CCC(CF)CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C23H26FN7OS/c1-14-3-4-20(33-14)19-11-25-22-18(30-7-5-16(10-24)6-8-30)9-17(12-31(19)22)23(32)28-15(2)21-26-13-27-29-21/h3-4,9,11-13,15-16H,5-8,10H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeyQSWJSEIKRDJXTH-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.17
Rot. Bonds6

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

8-[4-(fluoromethyl)piperidin-1-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 118168066) has the molecular formula C23H26FN7OS and a molecular weight of 467.57 g/mol. Its IUPAC name is 8-[4-(fluoromethyl)piperidin-1-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-[4-(fluoromethyl)piperidin-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168066
Molecular FormulaC23H26FN7OS
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name8-[4-(fluoromethyl)piperidin-1-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(N4CCC(CF)CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C23H26FN7OS/c1-14-3-4-20(33-14)19-11-25-22-18(30-7-5-16(10-24)6-8-30)9-17(12-31(19)22)23(32)28-15(2)21-26-13-27-29-21/h3-4,9,11-13,15-16H,5-8,10H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeyQSWJSEIKRDJXTH-UHFFFAOYSA-N
XLogP4.17
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(fluoromethyl)piperidin-1-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-[4-(fluoromethyl)piperidin-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168066) is 8-[4-(fluoromethyl)piperidin-1-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-[4-(fluoromethyl)piperidin-1-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-[4-(fluoromethyl)piperidin-1-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(N4CCC(CF)CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-[4-(fluoromethyl)piperidin-1-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 QSWJSEIKRDJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7OS/c1-14-3-4-20(33-14)19-11-25-22-18(30-7-5-16(10-24)6-8-30)9-17(12-31(19)22)23(32)28-15(2)21-26-13-27-29-21/h3-4,9,11-13,15-16H,5-8,10H2,1-2H3,(H,28,32)(H,26,27,29).
What are the key properties of 8-[4-(fluoromethyl)piperidin-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-[4-(fluoromethyl)piperidin-1-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 467.57 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(fluoromethyl)piperidin-1-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 118168066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).