3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C97H98Br3N31O8S2 — CID 157352405

About 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157352405) has the molecular formula C97H98Br3N31O8S2 and a molecular weight of 2129.91 g/mol. Its IUPAC name is 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157352405
• Molecular Formula: C97H98Br3N31O8S2
• Molecular Weight: 2129.91 g/mol
• Exact Mass: 2125.52
• IUPAC Name: 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CS(=O)(=O)N1CCCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)C4)nc23)cn1.N#CCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12
• InChI: InChI=1S/C22H20BrN7.C21H22N6O2S.C20H19BrN6O2S.C18H20N6O2.C16H17BrN6O2/c23-19-20(25)30-21(28-22(19)29-9-6-14(5-8-24)7-10-29)17(13-27-30)16-11-15-3-1-2-4-18(15)26-12-16;1-30(28,29)26-8-4-6-15(13-26)19-10-20(22)27-21(25-19)17(12-24-27)16-9-14-5-2-3-7-18(14)23-11-16;1-30(28,29)26-7-6-13(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)14-8-12-4-2-3-5-16(12)23-9-14;19-15-9-16(23-6-3-12(4-7-23)8-17(25)26)22-18-14(11-21-24(15)18)13-2-1-5-20-10-13;1-22-7-10(5-19-22)11-6-20-23-14(18)12(17)13(21-15(11)23)8-2-3-9(4-8)16(24)25/h1-4,11-14H,5-7,9-10,25H2;2-3,5,7,9-12,15H,4,6,8,13,22H2,1H3;2-5,8-10,13H,6-7,11,22H2,1H3;1-2,5,9-12H,3-4,6-8,19H2,(H,25,26);5-9H,2-4,18H2,1H3,(H,24,25)
• InChIKey: BHROZCIJTCEQSC-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 530.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.91
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157352405) is 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CS(=O)(=O)N1CCCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)C4)nc23)cn1.N#CCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12.

What is the InChIKey of 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is BHROZCIJTCEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN7.C21H22N6O2S.C20H19BrN6O2S.C18H20N6O2.C16H17BrN6O2/c23-19-20(25)30-21(28-22(19)29-9-6-14(5-8-24)7-10-29)17(13-27-30)16-11-15-3-1-2-4-18(15)26-12-16;1-30(28,29)26-8-4-6-15(13-26)19-10-20(22)27-21(25-19)17(12-24-27)16-9-14-5-2-3-7-18(14)23-11-16;1-30(28,29)26-7-6-13(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)14-8-12-4-2-3-5-16(12)23-9-14;19-15-9-16(23-6-3-12(4-7-23)8-17(25)26)22-18-14(11-21-24(15)18)13-2-1-5-20-10-13;1-22-7-10(5-19-22)11-6-20-23-14(18)12(17)13(21-15(11)23)8-2-3-9(4-8)16(24)25/h1-4,11-14H,5-7,9-10,25H2;2-3,5,7,9-12,15H,4,6,8,13,22H2,1H3;2-5,8-10,13H,6-7,11,22H2,1H3;1-2,5,9-12H,3-4,6-8,19H2,(H,25,26);5-9H,2-4,18H2,1H3,(H,24,25).

What are the key properties of 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2129.91 g/mol, XLogP of 14.63, 16 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentane-1-carboxylic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157352405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).