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

C24H30Cl2N10O3 — CID 11995976

IUPAC[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone
SMILESCC[C@H]1CN(c2nc(N)c(-c3nnc(CO)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1
InChIKeyOXORPFUVHKBMER-ZDUSSCGKSA-N
MW577.48 g/mol
LogP2.09
Rot. Bonds6

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

[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone (PubChem CID 11995976) has the molecular formula C24H30Cl2N10O3 and a molecular weight of 577.48 g/mol. Its IUPAC name is [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone
PubChem CID11995976
Molecular FormulaC24H30Cl2N10O3
Molecular Weight577.48 g/mol
Exact Mass576.19
IUPAC Name[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone
SMILESCC[C@H]1CN(c2nc(N)c(-c3nnc(CO)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1
InChIKeyOXORPFUVHKBMER-ZDUSSCGKSA-N
XLogP2.09
TPSA176.65 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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 [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone?
The IUPAC name of [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone (CID 11995976) is [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone?
The canonical SMILES for [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone is CC[C@H]1CN(c2nc(N)c(-c3nnc(CO)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.
What is the InChIKey of [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone?
The InChIKey is OXORPFUVHKBMER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1.
What are the key properties of [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone?
[4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone has a molecular weight of 577.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-4-[6-amino-3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 11995976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).