(2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C₁₂₁H₁₂₈Br₃N₃₁O₁₀ — CID 159450368

About (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

(2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159450368) has the molecular formula C₁₂₁H₁₂₈Br₃N₃₁O₁₀ and a molecular weight of 2416.27 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159450368
• Molecular Formula: C₁₂₁H₁₂₈Br₃N₃₁O₁₀
• Molecular Weight: 2416.27 g/mol
• Exact Mass: 2411.80
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CO[C@@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccc(C)cc4c3)cnn2c(N)c1Br.CO[C@H]1COCC[C@H]1NCc1nc2c(-c3cnc4ccc(C)cc4c3)cnn2c(N)c1Br.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C#N)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1
• InChI: InChI=1S/C26H25N7O2.C26H28N6O3.2C23H25BrN6O2.C23H25BrN6O/c1-16(34)26(35)32-11-9-18(10-12-32)23-20(13-27)24(28)33-25(31-23)21(15-30-33)19-7-8-22(29-14-19)17-5-3-2-4-6-17;1-14-4-5-21-18(10-14)11-19(12-28-21)20-13-29-32-24(27)22(15(2)33)23(30-25(20)32)17-6-8-31(9-7-17)26(35)16(3)34;2*1-13-3-4-17-14(7-13)8-15(9-26-17)16-10-28-30-22(25)21(24)19(29-23(16)30)11-27-18-5-6-32-12-20(18)31-2;1-13-3-4-19-15(9-13)10-16(11-26-19)18-12-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-5-7-31-8-6-17/h2-8,14-16,18,34H,9-12,28H2,1H3;4-5,10-13,16-17,34H,6-9,27H2,1-3H3;2*3-4,7-10,18,20,27H,5-6,11-12,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3/t2*16-;2*18-,20+;/m1110./s1
• InChIKey: LTHIPUIMVWFHEI-TUBSFIDHSA-N
• XLogP: 17.53
• TPSA: 549.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.27
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159450368) is (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CO[C@@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccc(C)cc4c3)cnn2c(N)c1Br.CO[C@H]1COCC[C@H]1NCc1nc2c(-c3cnc4ccc(C)cc4c3)cnn2c(N)c1Br.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C#N)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LTHIPUIMVWFHEI-TUBSFIDHSA-N. The full InChI is InChI=1S/C26H25N7O2.C26H28N6O3.2C23H25BrN6O2.C23H25BrN6O/c1-16(34)26(35)32-11-9-18(10-12-32)23-20(13-27)24(28)33-25(31-23)21(15-30-33)19-7-8-22(29-14-19)17-5-3-2-4-6-17;1-14-4-5-21-18(10-14)11-19(12-28-21)20-13-29-32-24(27)22(15(2)33)23(30-25(20)32)17-6-8-31(9-7-17)26(35)16(3)34;2*1-13-3-4-17-14(7-13)8-15(9-26-17)16-10-28-30-22(25)21(24)19(29-23(16)30)11-27-18-5-6-32-12-20(18)31-2;1-13-3-4-19-15(9-13)10-16(11-26-19)18-12-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-5-7-31-8-6-17/h2-8,14-16,18,34H,9-12,28H2,1H3;4-5,10-13,16-17,34H,6-9,27H2,1-3H3;2*3-4,7-10,18,20,27H,5-6,11-12,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3/t2*16-;2*18-,20+;/m1110./s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

(2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2416.27 g/mol, XLogP of 17.53, 22 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4R)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159450368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159450368 — identifiers, structure, computed properties (public domain)

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