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

C26H35ClN10O2 — CID 58768046

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(NC)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C26H35ClN10O2/c1-5-17-14-36(23-16(3)31-20(12-30-23)24-33-34-26(29-4)39-24)15(2)13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,12,15,17-18H,5,8-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)/t15-,17+/m1/s1
InChIKeyNCQARXZCSQPCKD-WBVHZDCISA-N
MW555.09 g/mol
LogP3.10
Rot. Bonds6

About (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58768046) has the molecular formula C26H35ClN10O2 and a molecular weight of 555.09 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID58768046
Molecular FormulaC26H35ClN10O2
Molecular Weight555.09 g/mol
Exact Mass554.26
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(NC)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C26H35ClN10O2/c1-5-17-14-36(23-16(3)31-20(12-30-23)24-33-34-26(29-4)39-24)15(2)13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,12,15,17-18H,5,8-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)/t15-,17+/m1/s1
InChIKeyNCQARXZCSQPCKD-WBVHZDCISA-N
XLogP3.10
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.09
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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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-(methylamino)-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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 58768046) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-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-(methylamino)-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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CC[C@H]1CN(c2ncc(-c3nnc(NC)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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is NCQARXZCSQPCKD-WBVHZDCISA-N. The full InChI is InChI=1S/C26H35ClN10O2/c1-5-17-14-36(23-16(3)31-20(12-30-23)24-33-34-26(29-4)39-24)15(2)13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,12,15,17-18H,5,8-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)/t15-,17+/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-(methylamino)-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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 555.09 g/mol, XLogP of 3.10, 6 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-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58768046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).