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

C26H34Cl2N10O2 — CID 58768049

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1
InChIInChI=1S/C26H34Cl2N10O2/c1-3-9-30-26-35-34-24(40-26)19-14-31-23(21(28)32-19)37-12-13-38(16(4-2)15-37)17-7-10-36(11-8-17)25(39)18-5-6-20(27)33-22(18)29/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H2,29,33)(H,30,35)/t16-/m0/s1
InChIKeyUUNQYOUQQQIHTF-INIZCTEOSA-N
MW589.53 g/mol
LogP3.84
Rot. Bonds8

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

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58768049) has the molecular formula C26H34Cl2N10O2 and a molecular weight of 589.53 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
PubChem CID58768049
Molecular FormulaC26H34Cl2N10O2
Molecular Weight589.53 g/mol
Exact Mass588.22
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1
InChIInChI=1S/C26H34Cl2N10O2/c1-3-9-30-26-35-34-24(40-26)19-14-31-23(21(28)32-19)37-12-13-38(16(4-2)15-37)17-7-10-36(11-8-17)25(39)18-5-6-20(27)33-22(18)29/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H2,29,33)(H,30,35)/t16-/m0/s1
InChIKeyUUNQYOUQQQIHTF-INIZCTEOSA-N
XLogP3.84
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (CID 58768049) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is CCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is UUNQYOUQQQIHTF-INIZCTEOSA-N. The full InChI is InChI=1S/C26H34Cl2N10O2/c1-3-9-30-26-35-34-24(40-26)19-14-31-23(21(28)32-19)37-12-13-38(16(4-2)15-37)17-7-10-36(11-8-17)25(39)18-5-6-20(27)33-22(18)29/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H2,29,33)(H,30,35)/t16-/m0/s1.
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?
(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 589.53 g/mol, XLogP of 3.84, 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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).