N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide

C115H121Br4N31O13S — CID 159772467

About N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide

N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide (PubChem CID 159772467) has the molecular formula C115H121Br4N31O13S and a molecular weight of 2497.12 g/mol. Its IUPAC name is N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide
• PubChem CID: 159772467
• Molecular Formula: C115H121Br4N31O13S
• Molecular Weight: 2497.12 g/mol
• Exact Mass: 2491.62
• IUPAC Name: N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide
• SMILES: CC(=O)c1c(C(C)NC(=O)C(C)(CO)CO)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CS(C)(=O)=O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H]5CC[C@H](O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H]5C[C@H](O)CN5)nc34)cc2c1
• InChI: InChI=1S/C25H28N6O4.C24H25BrN6O2.C23H24BrN7O2.C22H23BrN6O2.C21H21BrN6O3S/c1-13-5-6-19-16(7-13)8-17(9-27-19)18-10-28-31-22(26)20(15(3)34)21(30-23(18)31)14(2)29-24(35)25(4,11-32)12-33;1-12-3-6-19-15(7-12)8-16(10-27-19)18-11-28-31-22(26)20(25)21(30-23(18)31)13(2)29-24(33)14-4-5-17(32)9-14;1-11-3-4-17-13(5-11)6-14(8-26-17)16-10-28-31-21(25)19(24)20(30-22(16)31)12(2)29-23(33)18-7-15(32)9-27-18;1-11-4-5-17-14(6-11)7-15(8-25-17)16-9-26-29-20(24)18(23)19(28-21(16)29)13(3)27-22(31)12(2)10-30;1-11-4-5-16-13(6-11)7-14(8-24-16)15-9-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(29)10-32(3,30)31/h5-10,14,32-33H,11-12,26H2,1-4H3,(H,29,35);3,6-8,10-11,13-14,17,32H,4-5,9,26H2,1-2H3,(H,29,33);3-6,8,10,12,15,18,27,32H,7,9,25H2,1-2H3,(H,29,33);4-9,12-13,30H,10,24H2,1-3H3,(H,27,31);4-9,12H,10,23H2,1-3H3,(H,26,29)/t;13?,14-,17+;12?,15-,18+;12-,13?;/m.100./s1
• InChIKey: NGHGCBQKIOEFSV-WTOLBJKASA-N
• XLogP: 14.86
• TPSA: 655.39 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.12
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?

The IUPAC name of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide (CID 159772467) is N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide.

What is the SMILES notation for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?

The canonical SMILES for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide is CC(=O)c1c(C(C)NC(=O)C(C)(CO)CO)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CS(C)(=O)=O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H]5CC[C@H](O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H]5C[C@H](O)CN5)nc34)cc2c1.

What is the InChIKey of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?

The InChIKey is NGHGCBQKIOEFSV-WTOLBJKASA-N. The full InChI is InChI=1S/C25H28N6O4.C24H25BrN6O2.C23H24BrN7O2.C22H23BrN6O2.C21H21BrN6O3S/c1-13-5-6-19-16(7-13)8-17(9-27-19)18-10-28-31-22(26)20(15(3)34)21(30-23(18)31)14(2)29-24(35)25(4,11-32)12-33;1-12-3-6-19-15(7-12)8-16(10-27-19)18-11-28-31-22(26)20(25)21(30-23(18)31)13(2)29-24(33)14-4-5-17(32)9-14;1-11-3-4-17-13(5-11)6-14(8-26-17)16-10-28-31-21(25)19(24)20(30-22(16)31)12(2)29-23(33)18-7-15(32)9-27-18;1-11-4-5-17-14(6-11)7-15(8-25-17)16-9-26-29-20(24)18(23)19(28-21(16)29)13(3)27-22(31)12(2)10-30;1-11-4-5-16-13(6-11)7-14(8-24-16)15-9-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(29)10-32(3,30)31/h5-10,14,32-33H,11-12,26H2,1-4H3,(H,29,35);3,6-8,10-11,13-14,17,32H,4-5,9,26H2,1-2H3,(H,29,33);3-6,8,10,12,15,18,27,32H,7,9,25H2,1-2H3,(H,29,33);4-9,12-13,30H,10,24H2,1-3H3,(H,27,31);4-9,12H,10,23H2,1-3H3,(H,26,29)/t;13?,14-,17+;12?,15-,18+;12-,13?;/m.100./s1.

What are the key properties of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?

N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide has a molecular weight of 2497.12 g/mol, XLogP of 14.86, 25 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 159772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).