N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C35H34F2N6O4 — CID 59190447

IUPACN-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4cc(F)ccc4n3)CC2)c1
InChIInChI=1S/C35H34F2N6O4/c1-42(2)18-22-14-27(44)11-12-29(22)21-4-3-5-28(15-21)47-35-30(16-24(37)17-38-35)33(45)39-25-7-9-26(10-8-25)40-34(46)31-20-43-19-23(36)6-13-32(43)41-31/h3-6,11-17,19-20,25-26,44H,7-10,18H2,1-2H3,(H,39,45)(H,40,46)
InChIKeySJGSDOWJAQWCHC-UHFFFAOYSA-N
MW640.69 g/mol
LogP5.70
Rot. Bonds9

About N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59190447) has the molecular formula C35H34F2N6O4 and a molecular weight of 640.69 g/mol. Its IUPAC name is N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59190447
Molecular FormulaC35H34F2N6O4
Molecular Weight640.69 g/mol
Exact Mass640.26
IUPAC NameN-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4cc(F)ccc4n3)CC2)c1
InChIInChI=1S/C35H34F2N6O4/c1-42(2)18-22-14-27(44)11-12-29(22)21-4-3-5-28(15-21)47-35-30(16-24(37)17-38-35)33(45)39-25-7-9-26(10-8-25)40-34(46)31-20-43-19-23(36)6-13-32(43)41-31/h3-6,11-17,19-20,25-26,44H,7-10,18H2,1-2H3,(H,39,45)(H,40,46)
InChIKeySJGSDOWJAQWCHC-UHFFFAOYSA-N
XLogP5.70
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

CID 59190402
CID 59190402
CID 59190421
CID 59190421
CID 59190424
CID 59190424
CID 59190427
CID 59190427
CID 59190429
CID 59190429
CID 59190453
CID 59190453
CID 59190462
CID 59190462
CID 59190464
CID 59190464
CID 59190503
CID 59190503
CID 59190526
CID 59190526
CID 59190565
CID 59190565
CID 90643911
CID 90643911

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4cc(F)ccc4n3)CC2)c1.
What is the InChIKey of N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SJGSDOWJAQWCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F2N6O4/c1-42(2)18-22-14-27(44)11-12-29(22)21-4-3-5-28(15-21)47-35-30(16-24(37)17-38-35)33(45)39-25-7-9-26(10-8-25)40-34(46)31-20-43-19-23(36)6-13-32(43)41-31/h3-6,11-17,19-20,25-26,44H,7-10,18H2,1-2H3,(H,39,45)(H,40,46).
What are the key properties of N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 640.69 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).