tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

C24H23N5O2 — CID 130186802

IUPACtert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C24H23N5O2/c1-24(2,3)31-23(30)28-19-11-18(13-25-14-19)17-9-10-26-20(12-17)22-27-15-21(29-22)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,27,29)(H,28,30)
InChIKeyXYYBEVUGQNEAOM-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.55
Rot. Bonds4

About tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (PubChem CID 130186802) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
PubChem CID130186802
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Nametert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C24H23N5O2/c1-24(2,3)31-23(30)28-19-11-18(13-25-14-19)17-9-10-26-20(12-17)22-27-15-21(29-22)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,27,29)(H,28,30)
InChIKeyXYYBEVUGQNEAOM-UHFFFAOYSA-N
XLogP5.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate 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 N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (CID 130186802) is tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1.
What is the InChIKey of tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The InChIKey is XYYBEVUGQNEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-24(2,3)31-23(30)28-19-11-18(13-25-14-19)17-9-10-26-20(12-17)22-27-15-21(29-22)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate has a molecular weight of 413.48 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 130186802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).