N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide

C26H27FN4O3 — CID 155167645

IUPACN-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide
SMILESCC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)c5c(F)cccc5o4)cn3c2)CC1
InChIInChI=1S/C26H27FN4O3/c1-26(2)8-10-30(11-9-26)14-17-6-7-23-29-18(16-31(23)15-17)13-28-25(33)22-12-20(32)24-19(27)4-3-5-21(24)34-22/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,28,33)
InChIKeyUHRWNHWEKLFVEL-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.13
Rot. Bonds5

About N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide

N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide (PubChem CID 155167645) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide
PubChem CID155167645
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide
SMILESCC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)c5c(F)cccc5o4)cn3c2)CC1
InChIInChI=1S/C26H27FN4O3/c1-26(2)8-10-30(11-9-26)14-17-6-7-23-29-18(16-31(23)15-17)13-28-25(33)22-12-20(32)24-19(27)4-3-5-21(24)34-22/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,28,33)
InChIKeyUHRWNHWEKLFVEL-UHFFFAOYSA-N
XLogP4.13
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide (CID 155167645) is N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide is CC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)c5c(F)cccc5o4)cn3c2)CC1.
What is the InChIKey of N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is UHRWNHWEKLFVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-26(2)8-10-30(11-9-26)14-17-6-7-23-29-18(16-31(23)15-17)13-28-25(33)22-12-20(32)24-19(27)4-3-5-21(24)34-22/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,28,33).
What are the key properties of N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide?
N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 155167645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).