N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid

C27H26F2N4O7 — CID 56973393

IUPACN-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC(=O)Nc1cc(-c2ccc(N(C)C)cc2)cn2c(-c3ccc(F)c(F)c3)cnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C23H20F2N4O.C4H6O6/c1-14(30)27-21-11-17(15-4-7-18(8-5-15)28(2)3)13-29-22(12-26-23(21)29)16-6-9-19(24)20(25)10-16;5-1(3(7)8)2(6)4(9)10/h4-13H,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyGAZBYDATYYRCAF-LREBCSMRSA-N
MW556.52 g/mol
LogP2.85
Rot. Bonds7

About N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid

N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid (PubChem CID 56973393) has the molecular formula C27H26F2N4O7 and a molecular weight of 556.52 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID56973393
Molecular FormulaC27H26F2N4O7
Molecular Weight556.52 g/mol
Exact Mass556.18
IUPAC NameN-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC(=O)Nc1cc(-c2ccc(N(C)C)cc2)cn2c(-c3ccc(F)c(F)c3)cnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C23H20F2N4O.C4H6O6/c1-14(30)27-21-11-17(15-4-7-18(8-5-15)28(2)3)13-29-22(12-26-23(21)29)16-6-9-19(24)20(25)10-16;5-1(3(7)8)2(6)4(9)10/h4-13H,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyGAZBYDATYYRCAF-LREBCSMRSA-N
XLogP2.85
TPSA164.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.52
LogP ≤ 52.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The IUPAC name of N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid (CID 56973393) is N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid is CC(=O)Nc1cc(-c2ccc(N(C)C)cc2)cn2c(-c3ccc(F)c(F)c3)cnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The InChIKey is GAZBYDATYYRCAF-LREBCSMRSA-N. The full InChI is InChI=1S/C23H20F2N4O.C4H6O6/c1-14(30)27-21-11-17(15-4-7-18(8-5-15)28(2)3)13-29-22(12-26-23(21)29)16-6-9-19(24)20(25)10-16;5-1(3(7)8)2(6)4(9)10/h4-13H,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid has a molecular weight of 556.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 56973393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).