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

C26H35Cl2N11O2 — CID 143278958

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C(CC)C3)nc2NC)o1
InChIInChI=1S/C26H35Cl2N11O2/c1-4-15-14-38(23-20(28)33-19(22(30-3)34-23)24-35-36-26(41-24)31-5-2)12-13-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29/h6-7,15-16H,4-5,8-14H2,1-3H3,(H2,29,32)(H,30,34)(H,31,36)
InChIKeyOGDVPGVIIRMMGL-UHFFFAOYSA-N
MW604.55 g/mol
LogP3.49
Rot. Bonds8

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

(2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 143278958) has the molecular formula C26H35Cl2N11O2 and a molecular weight of 604.55 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
PubChem CID143278958
Molecular FormulaC26H35Cl2N11O2
Molecular Weight604.55 g/mol
Exact Mass603.24
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C(CC)C3)nc2NC)o1
InChIInChI=1S/C26H35Cl2N11O2/c1-4-15-14-38(23-20(28)33-19(22(30-3)34-23)24-35-36-26(41-24)31-5-2)12-13-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29/h6-7,15-16H,4-5,8-14H2,1-3H3,(H2,29,32)(H,30,34)(H,31,36)
InChIKeyOGDVPGVIIRMMGL-UHFFFAOYSA-N
XLogP3.49
TPSA154.46 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-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-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (CID 143278958) is (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C(CC)C3)nc2NC)o1.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is OGDVPGVIIRMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2N11O2/c1-4-15-14-38(23-20(28)33-19(22(30-3)34-23)24-35-36-26(41-24)31-5-2)12-13-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29/h6-7,15-16H,4-5,8-14H2,1-3H3,(H2,29,32)(H,30,34)(H,31,36).
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
(2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 604.55 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-3-pyridinyl)-[4-[4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-6-(methylamino)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 143278958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).