3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H22BrN5 — CID 143090497

IUPAC3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(C)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C19H22BrN5/c1-13-5-3-4-6-15(13)17-11-18(22-14-7-9-24(2)10-8-14)25-19(23-17)16(20)12-21-25/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKeySRMAAYBUHSRSKZ-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.97
Rot. Bonds3

About 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143090497) has the molecular formula C19H22BrN5 and a molecular weight of 400.32 g/mol. Its IUPAC name is 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143090497
Molecular FormulaC19H22BrN5
Molecular Weight400.32 g/mol
Exact Mass399.11
IUPAC Name3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(C)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C19H22BrN5/c1-13-5-3-4-6-15(13)17-11-18(22-14-7-9-24(2)10-8-14)25-19(23-17)16(20)12-21-25/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKeySRMAAYBUHSRSKZ-UHFFFAOYSA-N
XLogP3.97
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441458
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142871010
3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441238
2-[3-bromo-7-[(1-methylpiperidin-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol;N-(4-formylphenyl)acetamide
CID 142870742
[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-cyclohexylmethanone
CID 136620106
3-bromo-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090093
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066895
N'-[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
CID 70843397
N-[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-(1-cyclopropylethenyl)butane-1,4-diamine
CID 143441629
2-aminosulfanyl-1-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 143090387
2-[[4-[[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methyl]phenol
CID 88986815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143090497) is 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1-c1cc(NC2CCN(C)CC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRMAAYBUHSRSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5/c1-13-5-3-4-6-15(13)17-11-18(22-14-7-9-24(2)10-8-14)25-19(23-17)16(20)12-21-25/h3-6,11-12,14,22H,7-10H2,1-2H3.
What are the key properties of 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 400.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143090497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).