(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

C21H26N6O4S — CID 170423844

IUPAC(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESC[C@@H]1CN=C2N(Cc3cc(=O)n(C)n3C)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3N21
InChIInChI=1S/C21H26N6O4S/c1-13-11-22-20-26(12-14-9-18(28)25(4)24(14)3)19(29)16-10-15(5-6-17(16)27(13)20)32(30,31)23-21(2)7-8-21/h5-6,9-10,13,23H,7-8,11-12H2,1-4H3/t13-/m1/s1
InChIKeyKYPPJACZOJLESF-CYBMUJFWSA-N
MW458.54 g/mol
LogP0.78
Rot. Bonds5

About (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (PubChem CID 170423844) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.

Molecular Properties

Compound Name(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
PubChem CID170423844
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESC[C@@H]1CN=C2N(Cc3cc(=O)n(C)n3C)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3N21
InChIInChI=1S/C21H26N6O4S/c1-13-11-22-20-26(12-14-9-18(28)25(4)24(14)3)19(29)16-10-15(5-6-17(16)27(13)20)32(30,31)23-21(2)7-8-21/h5-6,9-10,13,23H,7-8,11-12H2,1-4H3/t13-/m1/s1
InChIKeyKYPPJACZOJLESF-CYBMUJFWSA-N
XLogP0.78
TPSA109.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide with MolForge

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Related Compounds

(1R)-4-[(3,5-dimethylimidazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353733
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353403
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170413373
(1S)-4-ethyl-N-(1-methylcyclopropyl)-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353763
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353431
(1R)-4-[(E)-3-(aminomethyl)-4-(methylamino)but-3-en-2-yl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170592582
(1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039669
(1R)-1-[2-[1-(dimethylamino)cyclopropyl]ethynyl]-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039780
(1R,2S)-1,2-dimethyl-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353796
(1R)-9-cyano-1-methyl-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353458
N,N-dimethyl-4-[(1R)-1-methyl-7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazolin-9-yl]piperazine-1-carboxamide
CID 170353416
(1R)-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-1-methyl-5-oxo-N-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353400

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The IUPAC name of (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (CID 170423844) is (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.
What is the SMILES notation for (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The canonical SMILES for (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is C[C@@H]1CN=C2N(Cc3cc(=O)n(C)n3C)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3N21.
What is the InChIKey of (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The InChIKey is KYPPJACZOJLESF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N6O4S/c1-13-11-22-20-26(12-14-9-18(28)25(4)24(14)3)19(29)16-10-15(5-6-17(16)27(13)20)32(30,31)23-21(2)7-8-21/h5-6,9-10,13,23H,7-8,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide has a molecular weight of 458.54 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is sourced from PubChem (CID 170423844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).