(2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C70H90N18O14 — CID 158360065

About (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

(2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 158360065) has the molecular formula C70H90N18O14 and a molecular weight of 1407.60 g/mol. Its IUPAC name is (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• PubChem CID: 158360065
• Molecular Formula: C70H90N18O14
• Molecular Weight: 1407.60 g/mol
• Exact Mass: 1406.69
• IUPAC Name: (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• SMILES: CNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CCC[C@H]3O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CCC[C@H]3O)c2n1.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2c1.N[C@@H]1CCCC1O
• InChI: InChI=1S/C25H32N6O5.C20H24N6O3.C20H23N5O5.C5H11NO/c1-25(2,3)36-24(34)30(4)21-13-20(28-17-9-7-11-26-23(17)35-5)29-22-16(14-27-31(21)22)19(33)12-15-8-6-10-18(15)32;1-21-18-10-17(24-14-6-4-8-22-20(14)29-2)25-19-13(11-23-26(18)19)16(28)9-12-5-3-7-15(12)27;1-20(2,3)30-19(28)24(4)16-10-12(23-14-7-6-8-21-17(14)29-5)9-15-13(18(26)27)11-22-25(15)16;6-4-2-1-3-5(4)7/h7,9,11,13-15,18,32H,6,8,10,12H2,1-5H3,(H,28,29);4,6,8,10-12,15,21,27H,3,5,7,9H2,1-2H3,(H,24,25);6-11,23H,1-5H3,(H,26,27);4-5,7H,1-3,6H2/t15?,18-;12?,15-;;4-,5?/m11.1/s1
• InChIKey: GTIZGZIWKPBHME-BKKWUJQZSA-N
• XLogP: 10.04
• TPSA: 409.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1407.60
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The IUPAC name of (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 158360065) is (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

What is the SMILES notation for (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The canonical SMILES for (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CCC[C@H]3O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CCC[C@H]3O)c2n1.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2c1.N[C@@H]1CCCC1O.

What is the InChIKey of (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The InChIKey is GTIZGZIWKPBHME-BKKWUJQZSA-N. The full InChI is InChI=1S/C25H32N6O5.C20H24N6O3.C20H23N5O5.C5H11NO/c1-25(2,3)36-24(34)30(4)21-13-20(28-17-9-7-11-26-23(17)35-5)29-22-16(14-27-31(21)22)19(33)12-15-8-6-10-18(15)32;1-21-18-10-17(24-14-6-4-8-22-20(14)29-2)25-19-13(11-23-26(18)19)16(28)9-12-5-3-7-15(12)27;1-20(2,3)30-19(28)24(4)16-10-12(23-14-7-6-8-21-17(14)29-5)9-15-13(18(26)27)11-22-25(15)16;6-4-2-1-3-5(4)7/h7,9,11,13-15,18,32H,6,8,10,12H2,1-5H3,(H,28,29);4,6,8,10-12,15,21,27H,3,5,7,9H2,1-2H3,(H,24,25);6-11,23H,1-5H3,(H,26,27);4-5,7H,1-3,6H2/t15?,18-;12?,15-;;4-,5?/m11.1/s1.

What are the key properties of (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

(2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 1407.60 g/mol, XLogP of 10.04, 19 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 158360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).