(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

C21H23N7O3S — CID 170353458

IUPAC(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
SMILESC[C@@H]1CN=C2N(Cc3cnn(C)c3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(C#N)c3N21
InChIInChI=1S/C21H23N7O3S/c1-13-9-23-20-27(12-14-10-24-26(3)11-14)19(29)17-7-16(6-15(8-22)18(17)28(13)20)32(30,31)25-21(2)4-5-21/h6-7,10-11,13,25H,4-5,9,12H2,1-3H3/t13-/m1/s1
InChIKeyUZHUYLINWJNGMK-CYBMUJFWSA-N
MW453.53 g/mol
LogP1.34
Rot. Bonds5

About (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

(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 (PubChem CID 170353458) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170353458
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name(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
SMILESC[C@@H]1CN=C2N(Cc3cnn(C)c3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(C#N)c3N21
InChIInChI=1S/C21H23N7O3S/c1-13-9-23-20-27(12-14-10-24-26(3)11-14)19(29)17-7-16(6-15(8-22)18(17)28(13)20)32(30,31)25-21(2)4-5-21/h6-7,10-11,13,25H,4-5,9,12H2,1-3H3/t13-/m1/s1
InChIKeyUZHUYLINWJNGMK-CYBMUJFWSA-N
XLogP1.34
TPSA123.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

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)-9-bromo-4-[dideuterio-(1-methylpyrazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170522986
(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)-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,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)-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
(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)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039673
(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-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170413373
(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
1-(3,3-difluoroprop-1-ynyl)-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
CID 177039676

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CN=C2N(Cc3cnn(C)c3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(C#N)c3N21.
What is the InChIKey of (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?
The InChIKey is UZHUYLINWJNGMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-13-9-23-20-27(12-14-10-24-26(3)11-14)19(29)17-7-16(6-15(8-22)18(17)28(13)20)32(30,31)25-21(2)4-5-21/h6-7,10-11,13,25H,4-5,9,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 453.53 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170353458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).