N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C40H41FN6O4 — CID 143720323

IUPACN-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)C(=O)C(CCC1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)C(=O)N2c1cccc(-c2ccc(CN(C)C)cc2O)c1
InChIInChI=1S/C40H41FN6O4/c1-24-17-33-37(49)32(15-9-25-7-12-29(13-8-25)43-39(50)34-23-46-22-28(41)11-16-36(46)44-34)40(51)47(38(33)42-20-24)30-6-4-5-27(19-30)31-14-10-26(18-35(31)48)21-45(2)3/h4-6,10-11,14,16-20,22-23,25,29,32,48H,7-9,12-13,15,21H2,1-3H3,(H,43,50)
InChIKeyQLIPXKCCOHYRIW-UHFFFAOYSA-N
MW688.80 g/mol
LogP6.86
Rot. Bonds9

About N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 143720323) has the molecular formula C40H41FN6O4 and a molecular weight of 688.80 g/mol. Its IUPAC name is N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID143720323
Molecular FormulaC40H41FN6O4
Molecular Weight688.80 g/mol
Exact Mass688.32
IUPAC NameN-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)C(=O)C(CCC1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)C(=O)N2c1cccc(-c2ccc(CN(C)C)cc2O)c1
InChIInChI=1S/C40H41FN6O4/c1-24-17-33-37(49)32(15-9-25-7-12-29(13-8-25)43-39(50)34-23-46-22-28(41)11-16-36(46)44-34)40(51)47(38(33)42-20-24)30-6-4-5-27(19-30)31-14-10-26(18-35(31)48)21-45(2)3/h4-6,10-11,14,16-20,22-23,25,29,32,48H,7-9,12-13,15,21H2,1-3H3,(H,43,50)
InChIKeyQLIPXKCCOHYRIW-UHFFFAOYSA-N
XLogP6.86
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.80
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

[4-[3-[6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]phenyl]methyl N-tert-butylcarbamate
CID 123541773
tert-butyl 4-[[4-[3-[6-fluoro-3-[2-[4-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-5-oxopentyl]cyclohexyl]ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-hydroxyphenyl]methyl]piperazine-1-carboxylate
CID 143720304
N-[4-[4-[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoro-3-pyridinyl]-4-oxobutyl]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 143900870
N-[4-[1-[2-[3-[2-(aminomethyl)-4-hydroxyphenyl]anilino]-5-fluoro-3-pyridinyl]ethenylamino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 70296575
3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 110122105
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide
CID 159874984
6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 143720081
tert-butyl N-[4-[4-[3-[6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]phenyl]butyl]-N-methylcarbamate
CID 159245944
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
2-chloro-N-[4-[[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]methyl]cyclohexyl]-5-methylbenzamide
CID 58317388
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 143720323) is N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is Cc1cnc2c(c1)C(=O)C(CCC1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)C(=O)N2c1cccc(-c2ccc(CN(C)C)cc2O)c1.
What is the InChIKey of N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QLIPXKCCOHYRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41FN6O4/c1-24-17-33-37(49)32(15-9-25-7-12-29(13-8-25)43-39(50)34-23-46-22-28(41)11-16-36(46)44-34)40(51)47(38(33)42-20-24)30-6-4-5-27(19-30)31-14-10-26(18-35(31)48)21-45(2)3/h4-6,10-11,14,16-20,22-23,25,29,32,48H,7-9,12-13,15,21H2,1-3H3,(H,43,50).
What are the key properties of N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 688.80 g/mol, XLogP of 6.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 143720323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).