(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone

C27H37ClN10O2 — CID 11997623

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C)n2)o1
InChIInChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1
InChIKeyRJGSIDJRNNLVKT-AEFFLSMTSA-N
MW569.11 g/mol
LogP3.49
Rot. Bonds7

About (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 11997623) has the molecular formula C27H37ClN10O2 and a molecular weight of 569.11 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
PubChem CID11997623
Molecular FormulaC27H37ClN10O2
Molecular Weight569.11 g/mol
Exact Mass568.28
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C)n2)o1
InChIInChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1
InChIKeyRJGSIDJRNNLVKT-AEFFLSMTSA-N
XLogP3.49
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.11
LogP ≤ 53.49
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-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-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-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (CID 11997623) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C)n2)o1.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RJGSIDJRNNLVKT-AEFFLSMTSA-N. The full InChI is InChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1.
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?
(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 569.11 g/mol, XLogP of 3.49, 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-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 11997623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).