[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone

C24H20BrN7O2 — CID 70217667

IUPAC[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESNc1c(Br)c(C2CCN(C(=O)c3cnoc3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H20BrN7O2/c25-20-21(14-5-7-31(8-6-14)24(33)17-11-29-34-13-17)30-23-18(12-28-32(23)22(20)26)16-9-15-3-1-2-4-19(15)27-10-16/h1-4,9-14H,5-8,26H2
InChIKeyDKRDSONHVNWGCP-UHFFFAOYSA-N
MW518.38 g/mol
LogP4.30
Rot. Bonds3

About [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone

[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 70217667) has the molecular formula C24H20BrN7O2 and a molecular weight of 518.38 g/mol. Its IUPAC name is [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
PubChem CID70217667
Molecular FormulaC24H20BrN7O2
Molecular Weight518.38 g/mol
Exact Mass517.09
IUPAC Name[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESNc1c(Br)c(C2CCN(C(=O)c3cnoc3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H20BrN7O2/c25-20-21(14-5-7-31(8-6-14)24(33)17-11-29-34-13-17)30-23-18(12-28-32(23)22(20)26)16-9-15-3-1-2-4-19(15)27-10-16/h1-4,9-14H,5-8,26H2
InChIKeyDKRDSONHVNWGCP-UHFFFAOYSA-N
XLogP4.30
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
CID 70215542
6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173543
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
CID 91528092
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 121408166
4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid
CID 70214157
2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid
CID 58173501
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid
CID 66733314

Frequently Asked Questions

What is the IUPAC name of [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone (CID 70217667) is [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone is Nc1c(Br)c(C2CCN(C(=O)c3cnoc3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The InChIKey is DKRDSONHVNWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O2/c25-20-21(14-5-7-31(8-6-14)24(33)17-11-29-34-13-17)30-23-18(12-28-32(23)22(20)26)16-9-15-3-1-2-4-19(15)27-10-16/h1-4,9-14H,5-8,26H2.
What are the key properties of [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 518.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 70217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).