2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C77H94Br7N37O4 — CID 158266002

IUPAC2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.CNC(=O)Cc1c(C)nc2c(Br)cnn2c1N.Cc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.Cc1nc2c(Br)cnn2c(N)c1CC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCO.Nc1c(-c2ccccc2)c(N2CC[C@H](N)C2)nc2c(Br)cnn12
InChIInChI=1S/C16H17BrN6.C12H17BrN6.C11H15BrN6.2C10H12BrN5O.C9H10BrN5O.C9H11BrN4O/c17-12-8-20-23-14(19)13(10-4-2-1-3-5-10)16(21-15(12)23)22-7-6-11(18)9-22;1-2-8-10(15)19-12(9(13)5-16-19)17-11(8)18-4-3-7(14)6-18;1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17;1-5-6(3-8(17)13-2)9(12)16-10(15-5)7(11)4-14-16;1-5-6(2-3-8(12)17)9(13)16-10(15-5)7(11)4-14-16;1-4-5(2-7(11)16)8(12)15-9(14-4)6(10)3-13-15;1-5-6(2-3-15)8(11)14-9(13-5)7(10)4-12-14/h1-5,8,11H,6-7,9,18-19H2;5,7H,2-4,6,14-15H2,1H3;4,7H,2-3,5,13-14H2,1H3;4H,3,12H2,1-2H3,(H,13,17);4H,2-3,13H2,1H3,(H2,12,17);3H,2,12H2,1H3,(H2,11,16);4,15H,2-3,11H2,1H3/t11-;2*7-;;;;/m000..../s1
InChIKeyGILGGLNUBXRONC-FTQXHSRWSA-N
MW2161.18 g/mol
LogP7.17
Rot. Bonds14

About 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158266002) has the molecular formula C77H94Br7N37O4 and a molecular weight of 2161.18 g/mol. Its IUPAC name is 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158266002
Molecular FormulaC77H94Br7N37O4
Molecular Weight2161.18 g/mol
Exact Mass2153.26
IUPAC Name2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.CNC(=O)Cc1c(C)nc2c(Br)cnn2c1N.Cc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.Cc1nc2c(Br)cnn2c(N)c1CC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCO.Nc1c(-c2ccccc2)c(N2CC[C@H](N)C2)nc2c(Br)cnn12
InChIInChI=1S/C16H17BrN6.C12H17BrN6.C11H15BrN6.2C10H12BrN5O.C9H10BrN5O.C9H11BrN4O/c17-12-8-20-23-14(19)13(10-4-2-1-3-5-10)16(21-15(12)23)22-7-6-11(18)9-22;1-2-8-10(15)19-12(9(13)5-16-19)17-11(8)18-4-3-7(14)6-18;1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17;1-5-6(3-8(17)13-2)9(12)16-10(15-5)7(11)4-14-16;1-5-6(2-3-8(12)17)9(13)16-10(15-5)7(11)4-14-16;1-4-5(2-7(11)16)8(12)15-9(14-4)6(10)3-13-15;1-5-6(2-3-15)8(11)14-9(13-5)7(10)4-12-14/h1-5,8,11H,6-7,9,18-19H2;5,7H,2-4,6,14-15H2,1H3;4,7H,2-3,5,13-14H2,1H3;4H,3,12H2,1-2H3,(H,13,17);4H,2-3,13H2,1H3,(H2,12,17);3H,2,12H2,1H3,(H2,11,16);4,15H,2-3,11H2,1H3/t11-;2*7-;;;;/m000..../s1
InChIKeyGILGGLNUBXRONC-FTQXHSRWSA-N
XLogP7.17
TPSA616.76 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.18
LogP ≤ 57.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158266002) is 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.CNC(=O)Cc1c(C)nc2c(Br)cnn2c1N.Cc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.Cc1nc2c(Br)cnn2c(N)c1CC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCC(N)=O.Cc1nc2c(Br)cnn2c(N)c1CCO.Nc1c(-c2ccccc2)c(N2CC[C@H](N)C2)nc2c(Br)cnn12.
What is the InChIKey of 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GILGGLNUBXRONC-FTQXHSRWSA-N. The full InChI is InChI=1S/C16H17BrN6.C12H17BrN6.C11H15BrN6.2C10H12BrN5O.C9H10BrN5O.C9H11BrN4O/c17-12-8-20-23-14(19)13(10-4-2-1-3-5-10)16(21-15(12)23)22-7-6-11(18)9-22;1-2-8-10(15)19-12(9(13)5-16-19)17-11(8)18-4-3-7(14)6-18;1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17;1-5-6(3-8(17)13-2)9(12)16-10(15-5)7(11)4-14-16;1-5-6(2-3-8(12)17)9(13)16-10(15-5)7(11)4-14-16;1-4-5(2-7(11)16)8(12)15-9(14-4)6(10)3-13-15;1-5-6(2-3-15)8(11)14-9(13-5)7(10)4-12-14/h1-5,8,11H,6-7,9,18-19H2;5,7H,2-4,6,14-15H2,1H3;4,7H,2-3,5,13-14H2,1H3;4H,3,12H2,1-2H3,(H,13,17);4H,2-3,13H2,1H3,(H2,12,17);3H,2,12H2,1H3,(H2,11,16);4,15H,2-3,11H2,1H3/t11-;2*7-;;;;/m000..../s1.
What are the key properties of 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2161.18 g/mol, XLogP of 7.17, 14 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158266002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).