2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone

C14H17F3N4O2 — CID 110872663

IUPAC2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCn1cnc2c1CN(C(=O)C1CCCN1C(=O)C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N4O2/c1-19-8-18-9-4-6-20(7-11(9)19)12(22)10-3-2-5-21(10)13(23)14(15,16)17/h8,10H,2-7H2,1H3
InChIKeyPWDLEFNKXJGXNK-UHFFFAOYSA-N
MW330.31 g/mol
LogP0.86
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 110872663) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID110872663
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCn1cnc2c1CN(C(=O)C1CCCN1C(=O)C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N4O2/c1-19-8-18-9-4-6-20(7-11(9)19)12(22)10-3-2-5-21(10)13(23)14(15,16)17/h8,10H,2-7H2,1H3
InChIKeyPWDLEFNKXJGXNK-UHFFFAOYSA-N
XLogP0.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone (CID 110872663) is 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone is Cn1cnc2c1CN(C(=O)C1CCCN1C(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PWDLEFNKXJGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-19-8-18-9-4-6-20(7-11(9)19)12(22)10-3-2-5-21(10)13(23)14(15,16)17/h8,10H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 330.31 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110872663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).