N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide

C21H25N7O5S — CID 172631337

IUPACN-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCNc1nc([C@H](C)O)cn2c(-c3cc(NS(=O)(=O)c4cnn(C)c4)c(OC)c(OC)c3)cnc12
InChIInChI=1S/C21H25N7O5S/c1-12(29)16-11-28-17(9-23-21(28)20(22-2)25-16)13-6-15(19(33-5)18(7-13)32-4)26-34(30,31)14-8-24-27(3)10-14/h6-12,26,29H,1-5H3,(H,22,25)/t12-/m0/s1
InChIKeyMCPOLTOEVYWKKV-LBPRGKRZSA-N
MW487.54 g/mol
LogP2.04
Rot. Bonds8

About N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide

N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 172631337) has the molecular formula C21H25N7O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID172631337
Molecular FormulaC21H25N7O5S
Molecular Weight487.54 g/mol
Exact Mass487.16
IUPAC NameN-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCNc1nc([C@H](C)O)cn2c(-c3cc(NS(=O)(=O)c4cnn(C)c4)c(OC)c(OC)c3)cnc12
InChIInChI=1S/C21H25N7O5S/c1-12(29)16-11-28-17(9-23-21(28)20(22-2)25-16)13-6-15(19(33-5)18(7-13)32-4)26-34(30,31)14-8-24-27(3)10-14/h6-12,26,29H,1-5H3,(H,22,25)/t12-/m0/s1
InChIKeyMCPOLTOEVYWKKV-LBPRGKRZSA-N
XLogP2.04
TPSA144.90 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 172631214
N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 178093964
methyl 3-[3-[[(E)-3-amino-1-(methylamino)prop-1-en-2-yl]sulfanylamino]-4,5-dimethoxyphenyl]-8-(methylamino)imidazo[1,2-a]pyrazine-6-carboxylate
CID 172631391
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631227
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
CID 154636348
2-methoxy-6-(methylamino)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 154636413
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide (CID 172631337) is N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide is CNc1nc([C@H](C)O)cn2c(-c3cc(NS(=O)(=O)c4cnn(C)c4)c(OC)c(OC)c3)cnc12.
What is the InChIKey of N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MCPOLTOEVYWKKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H25N7O5S/c1-12(29)16-11-28-17(9-23-21(28)20(22-2)25-16)13-6-15(19(33-5)18(7-13)32-4)26-34(30,31)14-8-24-27(3)10-14/h6-12,26,29H,1-5H3,(H,22,25)/t12-/m0/s1.
What are the key properties of N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide?
N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 487.54 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 172631337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).