N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H27FN6O2 — CID 134153891

IUPACN-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)CC1
InChIInChI=1S/C27H27FN6O2/c1-32-12-14-33(15-13-32)23-7-3-2-6-20(23)17-30-26(35)19-9-10-21(28)22(16-19)31-27(36)24-18-29-25-8-4-5-11-34(24)25/h2-11,16,18H,12-15,17H2,1H3,(H,30,35)(H,31,36)
InChIKeyWINHBLFFLLUAFT-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.41
Rot. Bonds6

About N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134153891) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134153891
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC NameN-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)CC1
InChIInChI=1S/C27H27FN6O2/c1-32-12-14-33(15-13-32)23-7-3-2-6-20(23)17-30-26(35)19-9-10-21(28)22(16-19)31-27(36)24-18-29-25-8-4-5-11-34(24)25/h2-11,16,18H,12-15,17H2,1H3,(H,30,35)(H,31,36)
InChIKeyWINHBLFFLLUAFT-UHFFFAOYSA-N
XLogP3.41
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134153891) is N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)CC1.
What is the InChIKey of N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WINHBLFFLLUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-32-12-14-33(15-13-32)23-7-3-2-6-20(23)17-30-26(35)19-9-10-21(28)22(16-19)31-27(36)24-18-29-25-8-4-5-11-34(24)25/h2-11,16,18H,12-15,17H2,1H3,(H,30,35)(H,31,36).
What are the key properties of N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134153891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).