tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate

C24H27N5O2 — CID 130186833

IUPACtert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)OC(C)(C)C)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C24H27N5O2/c1-15-16(2)28-22(27-15)21-11-17(6-8-26-21)19-10-20(13-25-12-19)18-7-9-29(14-18)23(30)31-24(3,4)5/h6-8,10-13H,9,14H2,1-5H3,(H,27,28)
InChIKeyQXVWWQRCXZIIDG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.78
Rot. Bonds3

About tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate

tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 130186833) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID130186833
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Nametert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)OC(C)(C)C)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C24H27N5O2/c1-15-16(2)28-22(27-15)21-11-17(6-8-26-21)19-10-20(13-25-12-19)18-7-9-29(14-18)23(30)31-24(3,4)5/h6-8,10-13H,9,14H2,1-5H3,(H,27,28)
InChIKeyQXVWWQRCXZIIDG-UHFFFAOYSA-N
XLogP4.78
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate 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 tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate (CID 130186833) is tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate is Cc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)OC(C)(C)C)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is QXVWWQRCXZIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-16(2)28-22(27-15)21-11-17(6-8-26-21)19-10-20(13-25-12-19)18-7-9-29(14-18)23(30)31-24(3,4)5/h6-8,10-13H,9,14H2,1-5H3,(H,27,28).
What are the key properties of tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate?
tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 130186833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).