6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H19BrN6 — CID 67494420

IUPAC6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCNC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H19BrN6/c21-17-18(13-5-3-7-23-9-13)26-20-15(11-25-27(20)19(17)22)14-8-12-4-1-2-6-16(12)24-10-14/h1-2,4,6,8,10-11,13,23H,3,5,7,9,22H2
InChIKeyZYORRRZQFOUEPU-UHFFFAOYSA-N
MW423.32 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67494420) has the molecular formula C20H19BrN6 and a molecular weight of 423.32 g/mol. Its IUPAC name is 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67494420
Molecular FormulaC20H19BrN6
Molecular Weight423.32 g/mol
Exact Mass422.09
IUPAC Name6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCNC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H19BrN6/c21-17-18(13-5-3-7-23-9-13)26-20-15(11-25-27(20)19(17)22)14-8-12-4-1-2-6-16(12)24-10-14/h1-2,4,6,8,10-11,13,23H,3,5,7,9,22H2
InChIKeyZYORRRZQFOUEPU-UHFFFAOYSA-N
XLogP3.76
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173543
5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143891350
[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
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364903
6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 121408166
1-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-3-one
CID 148943312
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
CID 164925744
CID 164925744
6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)oxy-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214255
5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656308

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 67494420) is 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZYORRRZQFOUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6/c21-17-18(13-5-3-7-23-9-13)26-20-15(11-25-27(20)19(17)22)14-8-12-4-1-2-6-16(12)24-10-14/h1-2,4,6,8,10-11,13,23H,3,5,7,9,22H2.
What are the key properties of 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 423.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67494420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).