N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C38H37F2N7O4 — CID 143720093

IUPACN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(F)cc2OCCN(C)C)c1
InChIInChI=1S/C38H37F2N7O4/c1-23-17-31-35(41-20-23)46(29-6-4-5-24(18-29)30-13-7-25(39)19-33(30)51-16-15-44(2)3)38(50)47(37(31)49)28-11-9-27(10-12-28)42-36(48)32-22-45-21-26(40)8-14-34(45)43-32/h4-8,13-14,17-22,27-28H,9-12,15-16H2,1-3H3,(H,42,48)
InChIKeyHYVUUYQUINUIPP-UHFFFAOYSA-N
MW693.76 g/mol
LogP5.30
Rot. Bonds9

About N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 143720093) has the molecular formula C38H37F2N7O4 and a molecular weight of 693.76 g/mol. Its IUPAC name is N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID143720093
Molecular FormulaC38H37F2N7O4
Molecular Weight693.76 g/mol
Exact Mass693.29
IUPAC NameN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(F)cc2OCCN(C)C)c1
InChIInChI=1S/C38H37F2N7O4/c1-23-17-31-35(41-20-23)46(29-6-4-5-24(18-29)30-13-7-25(39)19-33(30)51-16-15-44(2)3)38(50)47(37(31)49)28-11-9-27(10-12-28)42-36(48)32-22-45-21-26(40)8-14-34(45)43-32/h4-8,13-14,17-22,27-28H,9-12,15-16H2,1-3H3,(H,42,48)
InChIKeyHYVUUYQUINUIPP-UHFFFAOYSA-N
XLogP5.30
TPSA115.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.76
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190421
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190427
6-fluoro-N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 59190429
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190447
N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190453
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190462
N-[4-[[5-fluoro-2-[3-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190464
N-[4-[[2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190503
N-[4-[[2-[3-[4-[(dimethylamino)methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190526
N-[4-[[5-fluoro-2-[3-[4-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190565

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 143720093) is N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is Cc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(F)cc2OCCN(C)C)c1.
What is the InChIKey of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HYVUUYQUINUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F2N7O4/c1-23-17-31-35(41-20-23)46(29-6-4-5-24(18-29)30-13-7-25(39)19-33(30)51-16-15-44(2)3)38(50)47(37(31)49)28-11-9-27(10-12-28)42-36(48)32-22-45-21-26(40)8-14-34(45)43-32/h4-8,13-14,17-22,27-28H,9-12,15-16H2,1-3H3,(H,42,48).
What are the key properties of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 693.76 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 143720093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).