2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

C20H23FN4O2S — CID 71835907

IUPAC2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3F)C2)nc2ccncc21
InChIInChI=1S/C20H23FN4O2S/c1-14(2)25-19-11-22-9-7-18(19)23-20(25)15-8-10-24(12-15)28(26,27)13-16-5-3-4-6-17(16)21/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3
InChIKeyGRRWZEBIYUKYOV-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.47
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 71835907) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID71835907
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3F)C2)nc2ccncc21
InChIInChI=1S/C20H23FN4O2S/c1-14(2)25-19-11-22-9-7-18(19)23-20(25)15-8-10-24(12-15)28(26,27)13-16-5-3-4-6-17(16)21/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3
InChIKeyGRRWZEBIYUKYOV-UHFFFAOYSA-N
XLogP3.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (CID 71835907) is 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3F)C2)nc2ccncc21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is GRRWZEBIYUKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-14(2)25-19-11-22-9-7-18(19)23-20(25)15-8-10-24(12-15)28(26,27)13-16-5-3-4-6-17(16)21/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 402.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 71835907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).