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

C23H24F2N6OS — CID 118167976

IUPAC8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(N4CCC(F)(F)CC4)cc(C(=O)NC(C)c4ccn[nH]4)cn23)s1
InChIInChI=1S/C23H24F2N6OS/c1-14-3-4-20(33-14)19-12-26-21-18(30-9-6-23(24,25)7-10-30)11-16(13-31(19)21)22(32)28-15(2)17-5-8-27-29-17/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyOOTUYXQRLDKKQJ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.82
Rot. Bonds5

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

8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118167976) has the molecular formula C23H24F2N6OS and a molecular weight of 470.55 g/mol. Its IUPAC name is 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118167976
Molecular FormulaC23H24F2N6OS
Molecular Weight470.55 g/mol
Exact Mass470.17
IUPAC Name8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(N4CCC(F)(F)CC4)cc(C(=O)NC(C)c4ccn[nH]4)cn23)s1
InChIInChI=1S/C23H24F2N6OS/c1-14-3-4-20(33-14)19-12-26-21-18(30-9-6-23(24,25)7-10-30)11-16(13-31(19)21)22(32)28-15(2)17-5-8-27-29-17/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyOOTUYXQRLDKKQJ-UHFFFAOYSA-N
XLogP4.82
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118167976) is 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(N4CCC(F)(F)CC4)cc(C(=O)NC(C)c4ccn[nH]4)cn23)s1.
What is the InChIKey of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OOTUYXQRLDKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6OS/c1-14-3-4-20(33-14)19-12-26-21-18(30-9-6-23(24,25)7-10-30)11-16(13-31(19)21)22(32)28-15(2)17-5-8-27-29-17/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,27,29)(H,28,32).
What are the key properties of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).