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

C27H37ClN10O2 — CID 58767978

IUPAC(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(NC(C)C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(14-30-24)25-34-35-27(40-25)31-16(2)3)12-13-38(18)19-8-10-36(11-9-19)26(39)20-6-7-22(28)33-23(20)29/h6-7,14,16,18-19H,5,8-13,15H2,1-4H3,(H2,29,33)(H,31,35)/t18-/m0/s1
InChIKeyLBJMCVRZDVTFGO-SFHVURJKSA-N
MW569.11 g/mol
LogP3.49
Rot. Bonds7

About (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58767978) 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-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID58767978
Molecular FormulaC27H37ClN10O2
Molecular Weight569.11 g/mol
Exact Mass568.28
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(NC(C)C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
InChIInChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(14-30-24)25-34-35-27(40-25)31-16(2)3)12-13-38(18)19-8-10-36(11-9-19)26(39)20-6-7-22(28)33-23(20)29/h6-7,14,16,18-19H,5,8-13,15H2,1-4H3,(H2,29,33)(H,31,35)/t18-/m0/s1
InChIKeyLBJMCVRZDVTFGO-SFHVURJKSA-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)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-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)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 58767978) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CC[C@H]1CN(c2ncc(-c3nnc(NC(C)C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is LBJMCVRZDVTFGO-SFHVURJKSA-N. The full InChI is InChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(14-30-24)25-34-35-27(40-25)31-16(2)3)12-13-38(18)19-8-10-36(11-9-19)26(39)20-6-7-22(28)33-23(20)29/h6-7,14,16,18-19H,5,8-13,15H2,1-4H3,(H2,29,33)(H,31,35)/t18-/m0/s1.
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-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-methyl-5-[5-(propan-2-ylamino)-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 3.49, 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)-2-ethyl-4-[3-methyl-5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58767978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).