methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

C23H17FN6O2 — CID 171799388

IUPACmethyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnc3ccc(-c4nccn4-c4ccc(F)cc4)cn23)cn1
InChIInChI=1S/C23H17FN6O2/c1-32-23(31)28-20-8-2-15(12-26-20)19-13-27-21-9-3-16(14-30(19)21)22-25-10-11-29(22)18-6-4-17(24)5-7-18/h2-14H,1H3,(H,26,28,31)
InChIKeyQTGPFRZJZFSLJP-UHFFFAOYSA-N
MW428.43 g/mol
LogP4.57
Rot. Bonds4

About methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (PubChem CID 171799388) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
PubChem CID171799388
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Namemethyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnc3ccc(-c4nccn4-c4ccc(F)cc4)cn23)cn1
InChIInChI=1S/C23H17FN6O2/c1-32-23(31)28-20-8-2-15(12-26-20)19-13-27-21-9-3-16(14-30(19)21)22-25-10-11-29(22)18-6-4-17(24)5-7-18/h2-14H,1H3,(H,26,28,31)
InChIKeyQTGPFRZJZFSLJP-UHFFFAOYSA-N
XLogP4.57
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (CID 171799388) is methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2cnc3ccc(-c4nccn4-c4ccc(F)cc4)cn23)cn1.
What is the InChIKey of methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The InChIKey is QTGPFRZJZFSLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c1-32-23(31)28-20-8-2-15(12-26-20)19-13-27-21-9-3-16(14-30(19)21)22-25-10-11-29(22)18-6-4-17(24)5-7-18/h2-14H,1H3,(H,26,28,31).
What are the key properties of methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate has a molecular weight of 428.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[6-[1-(4-fluorophenyl)imidazol-2-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171799388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).