3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C38H35BrN8O4S2 — CID 142876580

IUPAC3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(S(C)(=O)=O)c(C3CC3c3cnn4c(Nc5ccc(S(C)(=O)=O)cc5)cc(-c5ccccc5)nc34)c2)n2ncc(Br)c2n1
InChIInChI=1S/C38H35BrN8O4S2/c1-22(2)32-18-35(47-38(44-32)31(39)21-41-47)43-25-12-15-34(53(4,50)51)29(16-25)27-17-28(27)30-20-40-46-36(42-24-10-13-26(14-11-24)52(3,48)49)19-33(45-37(30)46)23-8-6-5-7-9-23/h5-16,18-22,27-28,42-43H,17H2,1-4H3
InChIKeyBRBGILCFVPCTNR-UHFFFAOYSA-N
MW811.79 g/mol
LogP7.89
Rot. Bonds10

About 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142876580) has the molecular formula C38H35BrN8O4S2 and a molecular weight of 811.79 g/mol. Its IUPAC name is 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142876580
Molecular FormulaC38H35BrN8O4S2
Molecular Weight811.79 g/mol
Exact Mass810.14
IUPAC Name3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(S(C)(=O)=O)c(C3CC3c3cnn4c(Nc5ccc(S(C)(=O)=O)cc5)cc(-c5ccccc5)nc34)c2)n2ncc(Br)c2n1
InChIInChI=1S/C38H35BrN8O4S2/c1-22(2)32-18-35(47-38(44-32)31(39)21-41-47)43-25-12-15-34(53(4,50)51)29(16-25)27-17-28(27)30-20-40-46-36(42-24-10-13-26(14-11-24)52(3,48)49)19-33(45-37(30)46)23-8-6-5-7-9-23/h5-16,18-22,27-28,42-43H,17H2,1-4H3
InChIKeyBRBGILCFVPCTNR-UHFFFAOYSA-N
XLogP7.89
TPSA152.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.79
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10389566
3-bromo-N-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 10414007
1-(2-Fluoro-4-methylsulfonylphenyl)-4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-piperidin-4-ylmethyl]pyrazolo[3,4-d]pyrimidine
CID 66963341
1-(2-Fluoro-4-methylsulfonylphenyl)-4-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]-piperidin-4-ylmethyl]pyrazolo[3,4-d]pyrimidine
CID 69588454
3-bromo-5-[(2-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71198322
3-bromo-N-(pyridin-3-ylmethyl)-5-[4-[2-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 89908600
6-[2-(4-aminophenyl)pyrazol-3-yl]-7-methyl-N-(4-methylsulfonylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 123975140
N-[3-[[[3-bromo-5-(2-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-3,4-difluorobenzenesulfonamide
CID 142870845
5-cyclopropyl-2-N-(2,6-difluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine
CID 169155790
5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine
CID 169155842
3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9978561
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 10007325

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 142876580) is 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(Nc2ccc(S(C)(=O)=O)c(C3CC3c3cnn4c(Nc5ccc(S(C)(=O)=O)cc5)cc(-c5ccccc5)nc34)c2)n2ncc(Br)c2n1.
What is the InChIKey of 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BRBGILCFVPCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35BrN8O4S2/c1-22(2)32-18-35(47-38(44-32)31(39)21-41-47)43-25-12-15-34(53(4,50)51)29(16-25)27-17-28(27)30-20-40-46-36(42-24-10-13-26(14-11-24)52(3,48)49)19-33(45-37(30)46)23-8-6-5-7-9-23/h5-16,18-22,27-28,42-43H,17H2,1-4H3.
What are the key properties of 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 811.79 g/mol, XLogP of 7.89, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142876580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).