7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

C22H18BrN7O2 — CID 91391598

IUPAC7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1c(Br)c(N2CCn3c(c(O)[nH]c3=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H18BrN7O2/c1-12-18(23)20(28-6-7-29-17(11-28)21(31)27-22(29)32)26-19-15(10-25-30(12)19)14-8-13-4-2-3-5-16(13)24-9-14/h2-5,8-10,31H,6-7,11H2,1H3,(H,27,32)
InChIKeyIHHGRWJFBAJGPR-UHFFFAOYSA-N
MW492.34 g/mol
LogP3.23
Rot. Bonds2

About 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 91391598) has the molecular formula C22H18BrN7O2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID91391598
Molecular FormulaC22H18BrN7O2
Molecular Weight492.34 g/mol
Exact Mass491.07
IUPAC Name7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1c(Br)c(N2CCn3c(c(O)[nH]c3=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H18BrN7O2/c1-12-18(23)20(28-6-7-29-17(11-28)21(31)27-22(29)32)26-19-15(10-25-30(12)19)14-8-13-4-2-3-5-16(13)24-9-14/h2-5,8-10,31H,6-7,11H2,1H3,(H,27,32)
InChIKeyIHHGRWJFBAJGPR-UHFFFAOYSA-N
XLogP3.23
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,8a-tetrahydropyrrolo[1,2-a]pyrazine-6,8-dione
CID 70217080
2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid
CID 58173501
6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159498951
4-(7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)morpholine
CID 91197885
1-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-3-one
CID 148943312
1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
CID 91528092
6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)oxy-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214255
6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214020
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
4-(7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-thiazinane 1,1-dioxide
CID 91563864
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094

Frequently Asked Questions

What is the IUPAC name of 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (CID 91391598) is 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is Cc1c(Br)c(N2CCn3c(c(O)[nH]c3=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is IHHGRWJFBAJGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN7O2/c1-12-18(23)20(28-6-7-29-17(11-28)21(31)27-22(29)32)26-19-15(10-25-30(12)19)14-8-13-4-2-3-5-16(13)24-9-14/h2-5,8-10,31H,6-7,11H2,1H3,(H,27,32).
What are the key properties of 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 492.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-bromo-7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-hydroxy-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 91391598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).