(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

C29H39ClN10O2 — CID 58768073

About (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58768073) has the molecular formula C29H39ClN10O2 and a molecular weight of 595.15 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 58768073
• Molecular Formula: C29H39ClN10O2
• Molecular Weight: 595.15 g/mol
• Exact Mass: 594.29
• IUPAC Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CC[C@H]1CN(c2ncc(-c3nnc(NC4(C)CC4)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C29H39ClN10O2/c1-5-19-16-39(25-18(3)33-22(14-32-25)26-36-37-28(42-26)35-29(4)10-11-29)17(2)15-40(19)20-8-12-38(13-9-20)27(41)21-6-7-23(30)34-24(21)31/h6-7,14,17,19-20H,5,8-13,15-16H2,1-4H3,(H2,31,34)(H,35,37)/t17-,19+/m1/s1
• InChIKey: JONYOQGUKUMQNY-MJGOQNOKSA-N
• XLogP: 4.02
• TPSA: 142.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.15
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 58768073) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CC[C@H]1CN(c2ncc(-c3nnc(NC4(C)CC4)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.

What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is JONYOQGUKUMQNY-MJGOQNOKSA-N. The full InChI is InChI=1S/C29H39ClN10O2/c1-5-19-16-39(25-18(3)33-22(14-32-25)26-36-37-28(42-26)35-29(4)10-11-29)17(2)15-40(19)20-8-12-38(13-9-20)27(41)21-6-7-23(30)34-24(21)31/h6-7,14,17,19-20H,5,8-13,15-16H2,1-4H3,(H2,31,34)(H,35,37)/t17-,19+/m1/s1.

What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 595.15 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-[(1-methylcyclopropyl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58768073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).