N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

C55H51FN12O2 — CID 158779628

IUPACN-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(F)cc4)nc4cc(C)c(C)cc4n23)cc1.Cc1cc2nc(NCc3cccnc3)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C
InChIInChI=1S/C28H26N6O.C27H25FN6O/c1-17-12-23-24(13-18(17)2)34-25(20-5-7-21(8-6-20)28(35)32-22-9-10-22)16-31-27(34)26(33-23)30-15-19-4-3-11-29-14-19;1-16-12-22-23(13-17(16)2)34-24(19-6-10-21(11-7-19)32-27(35)29-3)15-31-26(34)25(33-22)30-14-18-4-8-20(28)9-5-18/h3-8,11-14,16,22H,9-10,15H2,1-2H3,(H,30,33)(H,32,35);4-13,15H,14H2,1-3H3,(H,30,33)(H2,29,32,35)
InChIKeyIQXGBYCZALPSAR-UHFFFAOYSA-N
MW931.09 g/mol
LogP10.73
Rot. Bonds11

About N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (PubChem CID 158779628) has the molecular formula C55H51FN12O2 and a molecular weight of 931.09 g/mol. Its IUPAC name is N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.

Molecular Properties

Compound NameN-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
PubChem CID158779628
Molecular FormulaC55H51FN12O2
Molecular Weight931.09 g/mol
Exact Mass930.42
IUPAC NameN-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(F)cc4)nc4cc(C)c(C)cc4n23)cc1.Cc1cc2nc(NCc3cccnc3)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C
InChIInChI=1S/C28H26N6O.C27H25FN6O/c1-17-12-23-24(13-18(17)2)34-25(20-5-7-21(8-6-20)28(35)32-22-9-10-22)16-31-27(34)26(33-23)30-15-19-4-3-11-29-14-19;1-16-12-22-23(13-17(16)2)34-24(19-6-10-21(11-7-19)32-27(35)29-3)15-31-26(34)25(33-22)30-14-18-4-8-20(28)9-5-18/h3-8,11-14,16,22H,9-10,15H2,1-2H3,(H,30,33)(H,32,35);4-13,15H,14H2,1-3H3,(H,30,33)(H2,29,32,35)
InChIKeyIQXGBYCZALPSAR-UHFFFAOYSA-N
XLogP10.73
TPSA167.56 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.09
LogP ≤ 510.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea with MolForge

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Related Compounds

1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 66601669
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601296
1-[4-[8-fluoro-4-(4-hydroxybutylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea;1-[4-[8-fluoro-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 159231736
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
1-[4-[7,8-dimethyl-4-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 89013556
N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975883
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 159997775
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The IUPAC name of N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (CID 158779628) is N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.
What is the SMILES notation for N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The canonical SMILES for N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(F)cc4)nc4cc(C)c(C)cc4n23)cc1.Cc1cc2nc(NCc3cccnc3)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C.
What is the InChIKey of N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The InChIKey is IQXGBYCZALPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C27H25FN6O/c1-17-12-23-24(13-18(17)2)34-25(20-5-7-21(8-6-20)28(35)32-22-9-10-22)16-31-27(34)26(33-23)30-15-19-4-3-11-29-14-19;1-16-12-22-23(13-17(16)2)34-24(19-6-10-21(11-7-19)32-27(35)29-3)15-31-26(34)25(33-22)30-14-18-4-8-20(28)9-5-18/h3-8,11-14,16,22H,9-10,15H2,1-2H3,(H,30,33)(H,32,35);4-13,15H,14H2,1-3H3,(H,30,33)(H2,29,32,35).
What are the key properties of N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea has a molecular weight of 931.09 g/mol, XLogP of 10.73, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is sourced from PubChem (CID 158779628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).