[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C30H29N7O2S — CID 77305433

IUPAC[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc(C2CCCN2C(=O)c2cc(-c3cccnc3)nc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C30H29N7O2S/c1-19-18-40-27(33-19)25-11-7-13-37(25)28(38)22-14-23(21-10-6-12-32-17-21)34-24(15-22)26-35-36-29(39-26)30(2,31)16-20-8-4-3-5-9-20/h3-6,8-10,12,14-15,17-18,25H,7,11,13,16,31H2,1-2H3
InChIKeyDXLHBXDYNRTKEO-UHFFFAOYSA-N
MW551.68 g/mol
LogP5.35
Rot. Bonds7

About [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 77305433) has the molecular formula C30H29N7O2S and a molecular weight of 551.68 g/mol. Its IUPAC name is [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID77305433
Molecular FormulaC30H29N7O2S
Molecular Weight551.68 g/mol
Exact Mass551.21
IUPAC Name[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc(C2CCCN2C(=O)c2cc(-c3cccnc3)nc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C30H29N7O2S/c1-19-18-40-27(33-19)25-11-7-13-37(25)28(38)22-14-23(21-10-6-12-32-17-21)34-24(15-22)26-35-36-29(39-26)30(2,31)16-20-8-4-3-5-9-20/h3-6,8-10,12,14-15,17-18,25H,7,11,13,16,31H2,1-2H3
InChIKeyDXLHBXDYNRTKEO-UHFFFAOYSA-N
XLogP5.35
TPSA123.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 77305433) is [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc(C2CCCN2C(=O)c2cc(-c3cccnc3)nc(-c3nnc(C(C)(N)Cc4ccccc4)o3)c2)n1.
What is the InChIKey of [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DXLHBXDYNRTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2S/c1-19-18-40-27(33-19)25-11-7-13-37(25)28(38)22-14-23(21-10-6-12-32-17-21)34-24(15-22)26-35-36-29(39-26)30(2,31)16-20-8-4-3-5-9-20/h3-6,8-10,12,14-15,17-18,25H,7,11,13,16,31H2,1-2H3.
What are the key properties of [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 551.68 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-pyridin-3-yl-4-pyridinyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 77305433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).