2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C19H21BrN6S2 — CID 162492815

IUPAC2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCC1CC(N(C)c2nc3sc(-c4ncc(Br)c5cc[nH]c45)nc3s2)CCN1C
InChIInChI=1S/C19H21BrN6S2/c1-10-8-11(5-7-25(10)2)26(3)19-24-18-17(28-19)23-16(27-18)15-14-12(4-6-21-14)13(20)9-22-15/h4,6,9-11,21H,5,7-8H2,1-3H3
InChIKeyFDGIZBSGZOOYAR-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.98
Rot. Bonds3

About 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 162492815) has the molecular formula C19H21BrN6S2 and a molecular weight of 477.46 g/mol. Its IUPAC name is 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID162492815
Molecular FormulaC19H21BrN6S2
Molecular Weight477.46 g/mol
Exact Mass476.05
IUPAC Name2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCC1CC(N(C)c2nc3sc(-c4ncc(Br)c5cc[nH]c45)nc3s2)CCN1C
InChIInChI=1S/C19H21BrN6S2/c1-10-8-11(5-7-25(10)2)26(3)19-24-18-17(28-19)23-16(27-18)15-14-12(4-6-21-14)13(20)9-22-15/h4,6,9-11,21H,5,7-8H2,1-3H3
InChIKeyFDGIZBSGZOOYAR-UHFFFAOYSA-N
XLogP4.98
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine with MolForge

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Related Compounds

N-methyl-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492630
2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492765
2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163989294
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492745
N-(1,2-dimethylpiperidin-4-yl)-N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163921856
2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
CID 162492820
2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 162492684
4-bromo-7-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 123392944
5-(1,8-diazaspiro[3.5]nonan-1-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163628545
2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol
CID 162492776
N-methyl-2-[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492714
N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492744

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 162492815) is 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is CC1CC(N(C)c2nc3sc(-c4ncc(Br)c5cc[nH]c45)nc3s2)CCN1C.
What is the InChIKey of 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is FDGIZBSGZOOYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6S2/c1-10-8-11(5-7-25(10)2)26(3)19-24-18-17(28-19)23-16(27-18)15-14-12(4-6-21-14)13(20)9-22-15/h4,6,9-11,21H,5,7-8H2,1-3H3.
What are the key properties of 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 477.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 162492815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).