5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one

C20H18BrN5O — CID 70879000

IUPAC5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one
SMILESCCc1ccccc1-c1cc(NCc2ccc(=O)[nH]c2)n2ncc(Br)c2n1
InChIInChI=1S/C20H18BrN5O/c1-2-14-5-3-4-6-15(14)17-9-18(26-20(25-17)16(21)12-24-26)22-10-13-7-8-19(27)23-11-13/h3-9,11-12,22H,2,10H2,1H3,(H,23,27)
InChIKeyVSZRSZRMFCFFNZ-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.02
Rot. Bonds5

About 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one

5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one (PubChem CID 70879000) has the molecular formula C20H18BrN5O and a molecular weight of 424.30 g/mol. Its IUPAC name is 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one
PubChem CID70879000
Molecular FormulaC20H18BrN5O
Molecular Weight424.30 g/mol
Exact Mass423.07
IUPAC Name5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one
SMILESCCc1ccccc1-c1cc(NCc2ccc(=O)[nH]c2)n2ncc(Br)c2n1
InChIInChI=1S/C20H18BrN5O/c1-2-14-5-3-4-6-15(14)17-9-18(26-20(25-17)16(21)12-24-26)22-10-13-7-8-19(27)23-11-13/h3-9,11-12,22H,2,10H2,1H3,(H,23,27)
InChIKeyVSZRSZRMFCFFNZ-UHFFFAOYSA-N
XLogP4.02
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11395520
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CID 21068332
N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130
2-[3-bromo-7-[[4-(trifluoromethyl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142871354
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
3-bromo-5-(2-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066924
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 21067636
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2,2-diphenylacetamide
CID 21068149
5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydroindol-2-one
CID 21066405
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2-chlorobenzenesulfonamide
CID 21068263
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]propane-1-sulfonamide
CID 21067735
N-[4-[[[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]benzenesulfonamide
CID 143440804

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one (CID 70879000) is 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one is CCc1ccccc1-c1cc(NCc2ccc(=O)[nH]c2)n2ncc(Br)c2n1.
What is the InChIKey of 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is VSZRSZRMFCFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O/c1-2-14-5-3-4-6-15(14)17-9-18(26-20(25-17)16(21)12-24-26)22-10-13-7-8-19(27)23-11-13/h3-9,11-12,22H,2,10H2,1H3,(H,23,27).
What are the key properties of 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one?
5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 424.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-bromo-5-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 70879000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).