(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

C20H26N6O4S — CID 170353400

IUPAC(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
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)C(=O)N(Cc1cnn(CCO)c1)C1=NC[C@@H](C)N12
InChIInChI=1S/C20H26N6O4S/c1-13(2)23-31(29,30)16-4-5-18-17(8-16)19(28)25(20-21-9-14(3)26(18)20)12-15-10-22-24(11-15)6-7-27/h4-5,8,10-11,13-14,23,27H,6-7,9,12H2,1-3H3/t14-/m1/s1
InChIKeyQLJSPPCYJVCIRP-CQSZACIVSA-N
MW446.53 g/mol
LogP0.78
Rot. Bonds7

About (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

(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 (PubChem CID 170353400) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170353400
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC Name(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
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)C(=O)N(Cc1cnn(CCO)c1)C1=NC[C@@H](C)N12
InChIInChI=1S/C20H26N6O4S/c1-13(2)23-31(29,30)16-4-5-18-17(8-16)19(28)25(20-21-9-14(3)26(18)20)12-15-10-22-24(11-15)6-7-27/h4-5,8,10-11,13-14,23,27H,6-7,9,12H2,1-3H3/t14-/m1/s1
InChIKeyQLJSPPCYJVCIRP-CQSZACIVSA-N
XLogP0.78
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)NS(=O)(=O)c1ccc2c(c1)C(=O)N(Cc1cnn(CCO)c1)C1=NC[C@@H](C)N12.
What is the InChIKey of (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?
The InChIKey is QLJSPPCYJVCIRP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N6O4S/c1-13(2)23-31(29,30)16-4-5-18-17(8-16)19(28)25(20-21-9-14(3)26(18)20)12-15-10-22-24(11-15)6-7-27/h4-5,8,10-11,13-14,23,27H,6-7,9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 446.53 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170353400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).