tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C132H181N33O21 — CID 158478561

About tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158478561) has the molecular formula C132H181N33O21 and a molecular weight of 2566.11 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158478561
• Molecular Formula: C132H181N33O21
• Molecular Weight: 2566.11 g/mol
• Exact Mass: 2564.41
• IUPAC Name: tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)C[C@H]4CCC[C@](C)(O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CCC[C@@](C)(O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CCC[C@@](C)(O)C4)c3n2)c1=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)C[C@H]3CCC[C@](C)(O)C3)cnn12.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@](C)(O)C3)cnn12
• InChI: InChI=1S/C29H40N6O5.2C28H39N7O5.C24H32N6O3.C23H31N7O3/c1-18(2)34-13-9-11-21(26(34)37)31-23-15-24(33(7)27(38)40-28(3,4)5)35-25(32-23)20(17-30-35)22(36)14-19-10-8-12-29(6,39)16-19;2*1-17(2)34-13-9-11-20(25(34)37)31-21-14-22(33(7)26(38)40-27(3,4)5)35-23(32-21)19(16-29-35)24(36)30-18-10-8-12-28(6,39)15-18;1-15(2)29-10-6-8-18(23(29)32)27-20-12-21(25-4)30-22(28-20)17(14-26-30)19(31)11-16-7-5-9-24(3,33)13-16;1-14(2)29-10-6-8-17(22(29)32)27-18-11-19(24-4)30-20(28-18)16(13-25-30)21(31)26-15-7-5-9-23(3,33)12-15/h9,11,13,15,17-19,39H,8,10,12,14,16H2,1-7H3,(H,31,32);2*9,11,13-14,16-18,39H,8,10,12,15H2,1-7H3,(H,30,36)(H,31,32);6,8,10,12,14-16,25,33H,5,7,9,11,13H2,1-4H3,(H,27,28);6,8,10-11,13-15,24,33H,5,7,9,12H2,1-4H3,(H,26,31)(H,27,28)/t19-,29+;2*18-,28-;16-,24+;15-,23-/m11111/s1
• InChIKey: HHFWIQIAGMXYMV-XBLPXQKFSA-N
• XLogP: 19.57
• TPSA: 656.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2566.11
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158478561) is tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)C[C@H]4CCC[C@](C)(O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CCC[C@@](C)(O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CCC[C@@](C)(O)C4)c3n2)c1=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)C[C@H]3CCC[C@](C)(O)C3)cnn12.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@](C)(O)C3)cnn12.

What is the InChIKey of tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HHFWIQIAGMXYMV-XBLPXQKFSA-N. The full InChI is InChI=1S/C29H40N6O5.2C28H39N7O5.C24H32N6O3.C23H31N7O3/c1-18(2)34-13-9-11-21(26(34)37)31-23-15-24(33(7)27(38)40-28(3,4)5)35-25(32-23)20(17-30-35)22(36)14-19-10-8-12-29(6,39)16-19;2*1-17(2)34-13-9-11-20(25(34)37)31-21-14-22(33(7)26(38)40-27(3,4)5)35-23(32-21)19(16-29-35)24(36)30-18-10-8-12-28(6,39)15-18;1-15(2)29-10-6-8-18(23(29)32)27-20-12-21(25-4)30-22(28-20)17(14-26-30)19(31)11-16-7-5-9-24(3,33)13-16;1-14(2)29-10-6-8-17(22(29)32)27-18-11-19(24-4)30-20(28-18)16(13-25-30)21(31)26-15-7-5-9-23(3,33)12-15/h9,11,13,15,17-19,39H,8,10,12,14,16H2,1-7H3,(H,31,32);2*9,11,13-14,16-18,39H,8,10,12,15H2,1-7H3,(H,30,36)(H,31,32);6,8,10,12,14-16,25,33H,5,7,9,11,13H2,1-4H3,(H,27,28);6,8,10-11,13-15,24,33H,5,7,9,12H2,1-4H3,(H,26,31)(H,27,28)/t19-,29+;2*18-,28-;16-,24+;15-,23-/m11111/s1.

What are the key properties of tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2566.11 g/mol, XLogP of 19.57, 32 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158478561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).