tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine

C60H73ClN16O4 — CID 161406975

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 161406975) has the molecular formula C60H73ClN16O4 and a molecular weight of 1117.80 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine
• PubChem CID: 161406975
• Molecular Formula: C60H73ClN16O4
• Molecular Weight: 1117.80 g/mol
• Exact Mass: 1116.57
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cnn4ccccc34)n2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1ccnc(-c2cnn3ccccc23)n1.c1ccn2ncc(-c3cncc(C[C@@H]4CCCNC4)n3)c2c1
• InChI: InChI=1S/C22H27N5O2.C17H19N5.C11H7ClN4.C10H20N2O2/c1-22(2,3)29-21(28)26-9-6-7-16(15-26)11-17-12-23-14-19(25-17)18-13-24-27-10-5-4-8-20(18)27;1-2-7-22-17(5-1)15(11-20-22)16-12-19-10-14(21-16)8-13-4-3-6-18-9-13;12-10-4-5-13-11(15-10)8-7-14-16-6-2-1-3-9(8)16;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8,10,12-14,16H,6-7,9,11,15H2,1-3H3;1-2,5,7,10-13,18H,3-4,6,8-9H2;1-7H;8H,4-7,11H2,1-3H3/t16-;13-;;8-/m00.1/s1
• InChIKey: VUYXBFNWBRUDQX-RYRRQJSDSA-N
• XLogP: 10.10
• TPSA: 226.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.80
LogP ≤ 5	10.10
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-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine (CID 161406975) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cnn4ccccc34)n2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1ccnc(-c2cnn3ccccc23)n1.c1ccn2ncc(-c3cncc(C[C@@H]4CCCNC4)n3)c2c1.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?

The InChIKey is VUYXBFNWBRUDQX-RYRRQJSDSA-N. The full InChI is InChI=1S/C22H27N5O2.C17H19N5.C11H7ClN4.C10H20N2O2/c1-22(2,3)29-21(28)26-9-6-7-16(15-26)11-17-12-23-14-19(25-17)18-13-24-27-10-5-4-8-20(18)27;1-2-7-22-17(5-1)15(11-20-22)16-12-19-10-14(21-16)8-13-4-3-6-18-9-13;12-10-4-5-13-11(15-10)8-7-14-16-6-2-1-3-9(8)16;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8,10,12-14,16H,6-7,9,11,15H2,1-3H3;1-2,5,7,10-13,18H,3-4,6,8-9H2;1-7H;8H,4-7,11H2,1-3H3/t16-;13-;;8-/m00.1/s1.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 1117.80 g/mol, XLogP of 10.10, 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-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate;3-(4-chloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine;3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 161406975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).