N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid

C51H51FN10O5 — CID 90450119

IUPACN-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN1CCCC1c1ccc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(-c5cccc(-c6ccccc6)c5)c4=O)CC3)cn2c1.CN1CCCC1c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C38H36FN7O3.C13H15N3O2/c1-43-18-6-11-33(43)26-12-17-34-42-32(23-44(34)22-26)36(47)41-28-13-15-29(16-14-28)46-37(48)31-20-27(39)21-40-35(31)45(38(46)49)30-10-5-9-25(19-30)24-7-3-2-4-8-24;1-15-6-2-3-11(15)9-4-5-12-14-10(13(17)18)8-16(12)7-9/h2-5,7-10,12,17,19-23,28-29,33H,6,11,13-16,18H2,1H3,(H,41,47);4-5,7-8,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyHQTODISNYRIRDB-UHFFFAOYSA-N
MW903.03 g/mol
LogP7.48
Rot. Bonds8

About N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid

N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 90450119) has the molecular formula C51H51FN10O5 and a molecular weight of 903.03 g/mol. Its IUPAC name is N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID90450119
Molecular FormulaC51H51FN10O5
Molecular Weight903.03 g/mol
Exact Mass902.40
IUPAC NameN-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN1CCCC1c1ccc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(-c5cccc(-c6ccccc6)c5)c4=O)CC3)cn2c1.CN1CCCC1c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C38H36FN7O3.C13H15N3O2/c1-43-18-6-11-33(43)26-12-17-34-42-32(23-44(34)22-26)36(47)41-28-13-15-29(16-14-28)46-37(48)31-20-27(39)21-40-35(31)45(38(46)49)30-10-5-9-25(19-30)24-7-3-2-4-8-24;1-15-6-2-3-11(15)9-4-5-12-14-10(13(17)18)8-16(12)7-9/h2-5,7-10,12,17,19-23,28-29,33H,6,11,13-16,18H2,1H3,(H,41,47);4-5,7-8,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyHQTODISNYRIRDB-UHFFFAOYSA-N
XLogP7.48
TPSA164.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.03
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-fluoro-N-{cis-4-[6-fluoro-1-(4'-{3-[(3-hydroxypropyl)amino]propyl}biphenyl-3-yl)-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]cyclohexyl}imidazo[1,2-a]pyridine-2-carboxamide
CID 24856963
6-fluoro-N-{cis-4-[6-fluoro-2,4-dioxo-1-[4'-(piperazin-1-ylmethyl)biphenyl-3-yl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]cyclohexyl}imidazo[1,2-a]pyridine-2-carboxamide
CID 25173403
6-fluoro-N-[4-[6-fluoro-1-[3-[4-(2-hydroxyethyl)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 57689815
3-[4-[Bis[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]amino]cyclohexyl]-6-fluoro-1-[3-[4-(1,4-oxazepan-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689818
N-[4-[6-fluoro-1-[3-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689822
N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689829
N-{cis-4-[1-{3-[(1-azabicyclo[2.2.2]oct-3-ylamino)carbonyl]phenyl}-6-fluoro-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]cyclohexyl}-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689831
N-[4-[1-[3-[4-(aminomethyl)phenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689845
N-[4-[1-[3-[4-[(2-ethoxyethylamino)methyl]phenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689850
N-[4-[1-[3-[4-[[(2S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689855
3-[6-Fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoic acid
CID 57689862
N-{cis-4-[1-{4'-[2-(dimethylamino)ethyl]biphenyl-3-yl}-6-fluoro-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]cyclohexyl}-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689864

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 90450119) is N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid is CN1CCCC1c1ccc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(-c5cccc(-c6ccccc6)c5)c4=O)CC3)cn2c1.CN1CCCC1c1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is HQTODISNYRIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36FN7O3.C13H15N3O2/c1-43-18-6-11-33(43)26-12-17-34-42-32(23-44(34)22-26)36(47)41-28-13-15-29(16-14-28)46-37(48)31-20-27(39)21-40-35(31)45(38(46)49)30-10-5-9-25(19-30)24-7-3-2-4-8-24;1-15-6-2-3-11(15)9-4-5-12-14-10(13(17)18)8-16(12)7-9/h2-5,7-10,12,17,19-23,28-29,33H,6,11,13-16,18H2,1H3,(H,41,47);4-5,7-8,11H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 903.03 g/mol, XLogP of 7.48, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-fluoro-2,4-dioxo-1-(3-phenylphenyl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;6-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 90450119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).