tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine

C60H70Cl4N16O4 — CID 159363133

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 159363133) has the molecular formula C60H70Cl4N16O4 and a molecular weight of 1221.14 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 159363133
• Molecular Formula: C60H70Cl4N16O4
• Molecular Weight: 1221.14 g/mol
• Exact Mass: 1218.45
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnn4ccccc34)ncc2Cl)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1cnc(-c2cnn3ccccc23)nc1C[C@@H]1CCCNC1.Clc1cnc(-c2cnn3ccccc23)nc1Cl
• InChI: InChI=1S/C22H26ClN5O2.C17H18ClN5.C11H6Cl2N4.C10H20N2O2/c1-22(2,3)30-21(29)27-9-6-7-15(14-27)11-18-17(23)13-24-20(26-18)16-12-25-28-10-5-4-8-19(16)28;18-14-11-20-17(13-10-21-23-7-2-1-5-16(13)23)22-15(14)8-12-4-3-6-19-9-12;12-8-6-14-11(16-10(8)13)7-5-15-17-4-2-1-3-9(7)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8,10,12-13,15H,6-7,9,11,14H2,1-3H3;1-2,5,7,10-12,19H,3-4,6,8-9H2;1-6H;8H,4-7,11H2,1-3H3/t15-;12-;;8-/m00.1/s1
• InChIKey: LIUCRTFYOWWLGU-MAMGMAEASA-N
• XLogP: 12.06
• TPSA: 226.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.14
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine (CID 159363133) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnn4ccccc34)ncc2Cl)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1cnc(-c2cnn3ccccc23)nc1C[C@@H]1CCCNC1.Clc1cnc(-c2cnn3ccccc23)nc1Cl.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine?

The InChIKey is LIUCRTFYOWWLGU-MAMGMAEASA-N. The full InChI is InChI=1S/C22H26ClN5O2.C17H18ClN5.C11H6Cl2N4.C10H20N2O2/c1-22(2,3)30-21(29)27-9-6-7-15(14-27)11-18-17(23)13-24-20(26-18)16-12-25-28-10-5-4-8-19(16)28;18-14-11-20-17(13-10-21-23-7-2-1-5-16(13)23)22-15(14)8-12-4-3-6-19-9-12;12-8-6-14-11(16-10(8)13)7-5-15-17-4-2-1-3-9(7)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8,10,12-13,15H,6-7,9,11,14H2,1-3H3;1-2,5,7,10-12,19H,3-4,6,8-9H2;1-6H;8H,4-7,11H2,1-3H3/t15-;12-;;8-/m00.1/s1.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 1221.14 g/mol, XLogP of 12.06, 7 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159363133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).