N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide

C26H22FN5OS — CID 68161207

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESCC(C1=CC=C(C=C1)F)NC(=O)C2=C(N=CC=C2)NCC3=CC=C(S3)C4=CN5C=CN=C5C=C4
InChIInChI=1S/C26H22FN5OS/c1-17(18-4-7-20(27)8-5-18)31-26(33)22-3-2-12-29-25(22)30-15-21-9-10-23(34-21)19-6-11-24-28-13-14-32(24)16-19/h2-14,16-17H,15H2,1H3,(H,29,30)(H,31,33)
InChIKeyKEXAODWIMHUUDV-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.70
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 68161207) has the molecular formula C26H22FN5OS and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID68161207
Molecular FormulaC26H22FN5OS
Molecular Weight471.60 g/mol
Exact Mass471.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESCC(C1=CC=C(C=C1)F)NC(=O)C2=C(N=CC=C2)NCC3=CC=C(S3)C4=CN5C=CN=C5C=C4
InChIInChI=1S/C26H22FN5OS/c1-17(18-4-7-20(27)8-5-18)31-26(33)22-3-2-12-29-25(22)30-15-21-9-10-23(34-21)19-6-11-24-28-13-14-32(24)16-19/h2-14,16-17H,15H2,1H3,(H,29,30)(H,31,33)
InChIKeyKEXAODWIMHUUDV-UHFFFAOYSA-N
XLogP5.70
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity678

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide (CID 68161207) is N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide is CC(C1=CC=C(C=C1)F)NC(=O)C2=C(N=CC=C2)NCC3=CC=C(S3)C4=CN5C=CN=C5C=C4.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is KEXAODWIMHUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5OS/c1-17(18-4-7-20(27)8-5-18)31-26(33)22-3-2-12-29-25(22)30-15-21-9-10-23(34-21)19-6-11-24-28-13-14-32(24)16-19/h2-14,16-17H,15H2,1H3,(H,29,30)(H,31,33).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 68161207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).