5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C100H110BrN31O12 — CID 158405443

About 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 158405443) has the molecular formula C100H110BrN31O12 and a molecular weight of 2018.09 g/mol. Its IUPAC name is 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
• PubChem CID: 158405443
• Molecular Formula: C100H110BrN31O12
• Molecular Weight: 2018.09 g/mol
• Exact Mass: 2015.81
• IUPAC Name: 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
• SMILES: CC(C)(C#N)c1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cc1.COC(=O)C1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CN1.COc1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cn1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)NC4)nc23)c1.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12
• InChI: InChI=1S/C22H22N6O2.C22H24N6O2.C21H25N7O3.C18H20N6O3.C17H19BrN6O2/c1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15;1-22(2,12-23)15-6-3-13(4-7-15)16-11-26-28-19(24)9-18(27-20(16)28)14-5-8-17(21(29)30)25-10-14;22-18-9-17(14-1-3-16(21(29)30)23-11-14)26-20-15(12-25-28(18)20)13-2-4-19(24-10-13)27-5-7-31-8-6-27;1-27-16-5-3-10(7-21-16)12-9-22-24-15(19)6-14(23-17(12)24)11-2-4-13(18(25)26)20-8-11;1-23-5-4-10(8-23)11-7-21-24-15(19)13(18)14(22-16(11)24)9-2-3-12(17(25)26)20-6-9/h2-5,8-9,11-12,14,18,25H,6-7,10,23H2,1H3;3-4,6-7,9,11,14,17,25H,5,8,10,24H2,1-2H3,(H,29,30);2,4,9-10,12,14,16,23H,1,3,5-8,11,22H2,(H,29,30);3,5-7,9,11,13,20H,2,4,8,19H2,1H3,(H,25,26);4-5,7-9,12,20H,2-3,6,19H2,1H3,(H,25,26)
• InChIKey: GYQAXUYAQLNUNM-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 605.79 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.09
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The IUPAC name of 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 158405443) is 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

What is the SMILES notation for 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The canonical SMILES for 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is CC(C)(C#N)c1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cc1.COC(=O)C1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CN1.COc1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cn1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)NC4)nc23)c1.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12.

What is the InChIKey of 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The InChIKey is GYQAXUYAQLNUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2.C22H24N6O2.C21H25N7O3.C18H20N6O3.C17H19BrN6O2/c1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15;1-22(2,12-23)15-6-3-13(4-7-15)16-11-26-28-19(24)9-18(27-20(16)28)14-5-8-17(21(29)30)25-10-14;22-18-9-17(14-1-3-16(21(29)30)23-11-14)26-20-15(12-25-28(18)20)13-2-4-19(24-10-13)27-5-7-31-8-6-27;1-27-16-5-3-10(7-21-16)12-9-22-24-15(19)6-14(23-17(12)24)11-2-4-13(18(25)26)20-8-11;1-23-5-4-10(8-23)11-7-21-24-15(19)13(18)14(22-16(11)24)9-2-3-12(17(25)26)20-6-9/h2-5,8-9,11-12,14,18,25H,6-7,10,23H2,1H3;3-4,6-7,9,11,14,17,25H,5,8,10,24H2,1-2H3,(H,29,30);2,4,9-10,12,14,16,23H,1,3,5-8,11,22H2,(H,29,30);3,5-7,9,11,13,20H,2,4,8,19H2,1H3,(H,25,26);4-5,7-9,12,20H,2-3,6,19H2,1H3,(H,25,26).

What are the key properties of 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 2018.09 g/mol, XLogP of 9.67, 18 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 158405443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).