6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

C19H20BrN7O2S — CID 172631214

IUPAC6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nc(Br)cn2c(-c3cc(NSc4cnn(C)c4)c(OC)c(OC)c3)cnc12
InChIInChI=1S/C19H20BrN7O2S/c1-21-18-19-22-8-14(27(19)10-16(20)24-18)11-5-13(17(29-4)15(6-11)28-3)25-30-12-7-23-26(2)9-12/h5-10,25H,1-4H3,(H,21,24)
InChIKeyWOCOTCGSDPJKGK-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.07
Rot. Bonds7

About 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 172631214) has the molecular formula C19H20BrN7O2S and a molecular weight of 490.39 g/mol. Its IUPAC name is 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
PubChem CID172631214
Molecular FormulaC19H20BrN7O2S
Molecular Weight490.39 g/mol
Exact Mass489.06
IUPAC Name6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nc(Br)cn2c(-c3cc(NSc4cnn(C)c4)c(OC)c(OC)c3)cnc12
InChIInChI=1S/C19H20BrN7O2S/c1-21-18-19-22-8-14(27(19)10-16(20)24-18)11-5-13(17(29-4)15(6-11)28-3)25-30-12-7-23-26(2)9-12/h5-10,25H,1-4H3,(H,21,24)
InChIKeyWOCOTCGSDPJKGK-UHFFFAOYSA-N
XLogP4.07
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631337
3-fluoro-2-methoxy-5-[7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(1-methylpyrazol-4-yl)sulfanylaniline
CID 172631641
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
3,6-dibromo-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 14207597
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-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,2-thiazol-5-amine
CID 157371798
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 25192302
6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine
CID 16665825
3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
CID 71448690
N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
CID 154636348
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 174997515

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (CID 172631214) is 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is CNc1nc(Br)cn2c(-c3cc(NSc4cnn(C)c4)c(OC)c(OC)c3)cnc12.
What is the InChIKey of 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WOCOTCGSDPJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN7O2S/c1-21-18-19-22-8-14(27(19)10-16(20)24-18)11-5-13(17(29-4)15(6-11)28-3)25-30-12-7-23-26(2)9-12/h5-10,25H,1-4H3,(H,21,24).
What are the key properties of 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 490.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3,4-dimethoxy-5-[(1-methylpyrazol-4-yl)sulfanylamino]phenyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 172631214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).