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

C27H37ClN10O2 — CID 58768044

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(CC)n2)o1
InChIInChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1
InChIKeyGMHZLTVEAIGJJD-KRWDZBQOSA-N
MW569.11 g/mol
LogP3.36
Rot. Bonds8

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

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58768044) 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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID58768044
Molecular FormulaC27H37ClN10O2
Molecular Weight569.11 g/mol
Exact Mass568.28
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(CC)n2)o1
InChIInChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1
InChIKeyGMHZLTVEAIGJJD-KRWDZBQOSA-N
XLogP3.36
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.11
LogP ≤ 53.36
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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 58768044) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(CC)n2)o1.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is GMHZLTVEAIGJJD-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1.
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 569.11 g/mol, XLogP of 3.36, 8 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)-2-ethyl-4-[3-ethyl-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58768044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).