4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine

C16H13F3N4 — CID 167827669

IUPAC4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(C2CCN(c3nccc4[nH]cnc34)C2)cc(F)c1F
InChIInChI=1S/C16H13F3N4/c17-11-5-10(6-12(18)14(11)19)9-2-4-23(7-9)16-15-13(1-3-20-16)21-8-22-15/h1,3,5-6,8-9H,2,4,7H2,(H,21,22)
InChIKeyIBVPUIVDRSCLGJ-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.37
Rot. Bonds2

About 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine

4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 167827669) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID167827669
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(C2CCN(c3nccc4[nH]cnc34)C2)cc(F)c1F
InChIInChI=1S/C16H13F3N4/c17-11-5-10(6-12(18)14(11)19)9-2-4-23(7-9)16-15-13(1-3-20-16)21-8-22-15/h1,3,5-6,8-9H,2,4,7H2,(H,21,22)
InChIKeyIBVPUIVDRSCLGJ-UHFFFAOYSA-N
XLogP3.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine (CID 167827669) is 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine is Fc1cc(C2CCN(c3nccc4[nH]cnc34)C2)cc(F)c1F.
What is the InChIKey of 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is IBVPUIVDRSCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c17-11-5-10(6-12(18)14(11)19)9-2-4-23(7-9)16-15-13(1-3-20-16)21-8-22-15/h1,3,5-6,8-9H,2,4,7H2,(H,21,22).
What are the key properties of 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine?
4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 318.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 167827669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).