N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide

C25H21F2N7O — CID 66601296

IUPACN-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCn1ccc(CNc2nc3cc(F)c(F)cc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1
InChIInChI=1S/C25H21F2N7O/c1-33-9-8-17(32-33)12-28-23-24-29-13-22(34(24)21-11-19(27)18(26)10-20(21)31-23)14-2-4-15(5-3-14)25(35)30-16-6-7-16/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,28,31)(H,30,35)
InChIKeyNLSFCTYZPXRJTM-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.07
Rot. Bonds6

About N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide

N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide (PubChem CID 66601296) has the molecular formula C25H21F2N7O and a molecular weight of 473.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
PubChem CID66601296
Molecular FormulaC25H21F2N7O
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC NameN-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCn1ccc(CNc2nc3cc(F)c(F)cc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1
InChIInChI=1S/C25H21F2N7O/c1-33-9-8-17(32-33)12-28-23-24-29-13-22(34(24)21-11-19(27)18(26)10-20(21)31-23)14-2-4-15(5-3-14)25(35)30-16-6-7-16/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,28,31)(H,30,35)
InChIKeyNLSFCTYZPXRJTM-UHFFFAOYSA-N
XLogP4.07
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 160849745
2-chloro-N-cyclopropyl-4-[8-ethyl-7-methyl-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 91360212
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-(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
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703
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
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide (CID 66601296) is N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide is Cn1ccc(CNc2nc3cc(F)c(F)cc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1.
What is the InChIKey of N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The InChIKey is NLSFCTYZPXRJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O/c1-33-9-8-17(32-33)12-28-23-24-29-13-22(34(24)21-11-19(27)18(26)10-20(21)31-23)14-2-4-15(5-3-14)25(35)30-16-6-7-16/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,28,31)(H,30,35).
What are the key properties of N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide?
N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide has a molecular weight of 473.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide is sourced from PubChem (CID 66601296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).