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

C125H164N30O21 — CID 158539084

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

tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one (PubChem CID 158539084) has the molecular formula C125H164N30O21 and a molecular weight of 2422.88 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
• PubChem CID: 158539084
• Molecular Formula: C125H164N30O21
• Molecular Weight: 2422.88 g/mol
• Exact Mass: 2421.27
• IUPAC Name: tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
• SMILES: CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)C[C@@H]4CC[C@H](O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)C[C@@H]4CC[C@H](O)C4)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)C[C@H]4CC[C@@H](O)C4)c3n2)c1=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H](O)C3)cnn12.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)C[C@H]3CC[C@@H](O)C3)cnn12
• InChI: InChI=1S/3C27H36N6O5.2C22H28N6O3/c3*1-16(2)32-11-7-8-20(25(32)36)29-22-14-23(31(6)26(37)38-27(3,4)5)33-24(30-22)19(15-28-33)21(35)13-17-9-10-18(34)12-17;2*1-13(2)27-8-4-5-17(22(27)31)25-19-11-20(23-3)28-21(26-19)16(12-24-28)18(30)10-14-6-7-15(29)9-14/h3*7-8,11,14-18,34H,9-10,12-13H2,1-6H3,(H,29,30);2*4-5,8,11-15,23,29H,6-7,9-10H2,1-3H3,(H,25,26)/t3*17-,18+;2*14-,15+/m11010/s1
• InChIKey: HOHMIMWKGSXADE-AMPMSZJUSA-N
• XLogP: 18.94
• TPSA: 620.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 35
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.88
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	12
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,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one?

The IUPAC name of tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one (CID 158539084) is tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one.

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

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

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

The InChIKey is HOHMIMWKGSXADE-AMPMSZJUSA-N. The full InChI is InChI=1S/3C27H36N6O5.2C22H28N6O3/c3*1-16(2)32-11-7-8-20(25(32)36)29-22-14-23(31(6)26(37)38-27(3,4)5)33-24(30-22)19(15-28-33)21(35)13-17-9-10-18(34)12-17;2*1-13(2)27-8-4-5-17(22(27)31)25-19-11-20(23-3)28-21(26-19)16(12-24-28)18(30)10-14-6-7-15(29)9-14/h3*7-8,11,14-18,34H,9-10,12-13H2,1-6H3,(H,29,30);2*4-5,8,11-15,23,29H,6-7,9-10H2,1-3H3,(H,25,26)/t3*17-,18+;2*14-,15+/m11010/s1.

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

tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one has a molecular weight of 2422.88 g/mol, XLogP of 18.94, 35 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2-[(1S,3R)-3-hydroxycyclopentyl]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-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;3-[[3-[2-[(1R,3S)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 158539084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).