5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H17BrN6S — CID 143891350

IUPAC5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCCNC2)nc2c(-c3nccs3)cnn12
InChIInChI=1S/C15H17BrN6S/c16-11-12(9-3-1-2-4-18-7-9)21-14-10(15-19-5-6-23-15)8-20-22(14)13(11)17/h5-6,8-9,18H,1-4,7,17H2
InChIKeyIGRMOYGKBGPVBV-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.05
Rot. Bonds2

About 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143891350) has the molecular formula C15H17BrN6S and a molecular weight of 393.31 g/mol. Its IUPAC name is 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143891350
Molecular FormulaC15H17BrN6S
Molecular Weight393.31 g/mol
Exact Mass392.04
IUPAC Name5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCCNC2)nc2c(-c3nccs3)cnn12
InChIInChI=1S/C15H17BrN6S/c16-11-12(9-3-1-2-4-18-7-9)21-14-10(15-19-5-6-23-15)8-20-22(14)13(11)17/h5-6,8-9,18H,1-4,7,17H2
InChIKeyIGRMOYGKBGPVBV-UHFFFAOYSA-N
XLogP3.05
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[7-amino-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143441730
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158971683
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364903
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CID 164925744
CID 164925744
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CID 71198892
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CID 78010982
5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 53326009
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
6-bromo-3-(1-methylpyrazol-4-yl)-5-(1-methylsulfonyl-1,4-diazepan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821321
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 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143891350) is 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(C2CCCCNC2)nc2c(-c3nccs3)cnn12.
What is the InChIKey of 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IGRMOYGKBGPVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6S/c16-11-12(9-3-1-2-4-18-7-9)21-14-10(15-19-5-6-23-15)8-20-22(14)13(11)17/h5-6,8-9,18H,1-4,7,17H2.
What are the key properties of 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-3-yl)-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143891350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).