9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide

C19H19BrN6O3S — CID 177202782

IUPAC9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide
SMILESCn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3n3nccc23)cn1
InChIInChI=1S/C19H19BrN6O3S/c1-19(4-5-19)23-30(28,29)13-7-14-17(15(20)8-13)26-16(3-6-21-26)25(18(14)27)11-12-9-22-24(2)10-12/h3,6-10,23H,4-5,11H2,1-2H3
InChIKeyOQZIFIWKPQNBRC-UHFFFAOYSA-N
MW491.37 g/mol
LogP2.02
Rot. Bonds5

About 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide

9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide (PubChem CID 177202782) has the molecular formula C19H19BrN6O3S and a molecular weight of 491.37 g/mol. Its IUPAC name is 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide.

Molecular Properties

Compound Name9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide
PubChem CID177202782
Molecular FormulaC19H19BrN6O3S
Molecular Weight491.37 g/mol
Exact Mass490.04
IUPAC Name9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide
SMILESCn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3n3nccc23)cn1
InChIInChI=1S/C19H19BrN6O3S/c1-19(4-5-19)23-30(28,29)13-7-14-17(15(20)8-13)26-16(3-6-21-26)25(18(14)27)11-12-9-22-24(2)10-12/h3,6-10,23H,4-5,11H2,1-2H3
InChIKeyOQZIFIWKPQNBRC-UHFFFAOYSA-N
XLogP2.02
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
CID 177202770
N-(1-methylcyclopropyl)-1,3-bis[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398333
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-1-(2-morpholin-4-ylethyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398400
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-[(1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-6-sulfonamide
CID 121398316
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1-[[4-(trifluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135931
3-[dideuterio-(1-methylpyrazol-4-yl)methyl]-2-[[(2S)-2-hydroxypropyl]amino]-N-(1-methylcyclopropyl)-4-oxoquinazoline-6-sulfonamide
CID 170522999
N-[1-(fluoromethyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]-1-[(3-methyl-1,2-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398144
1-but-2-ynyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135910
N-[1-(fluoromethyl)cyclopropyl]-1-(3-methylbutyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398622
N-[1-(fluoromethyl)cyclopropyl]-1-[(1-methylimidazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398180
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-3-pyridinyl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121404626
1-[2-(diethylamino)ethyl]-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398226

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide?
The IUPAC name of 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide (CID 177202782) is 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide.
What is the SMILES notation for 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide?
The canonical SMILES for 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide is Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3n3nccc23)cn1.
What is the InChIKey of 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide?
The InChIKey is OQZIFIWKPQNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O3S/c1-19(4-5-19)23-30(28,29)13-7-14-17(15(20)8-13)26-16(3-6-21-26)25(18(14)27)11-12-9-22-24(2)10-12/h3,6-10,23H,4-5,11H2,1-2H3.
What are the key properties of 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide?
9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide has a molecular weight of 491.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide is sourced from PubChem (CID 177202782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).