2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone

C22H24FN5O — CID 67092224

IUPAC2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN5O/c1-24-19-8-11-27(14-19)22(29)15-28-20(12-16-2-4-18(23)5-3-16)13-21(26-28)17-6-9-25-10-7-17/h2-7,9-10,13,19,24H,8,11-12,14-15H2,1H3
InChIKeyNBQPMTJJRQATOG-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.50
Rot. Bonds6

About 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone (PubChem CID 67092224) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
PubChem CID67092224
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN5O/c1-24-19-8-11-27(14-19)22(29)15-28-20(12-16-2-4-18(23)5-3-16)13-21(26-28)17-6-9-25-10-7-17/h2-7,9-10,13,19,24H,8,11-12,14-15H2,1H3
InChIKeyNBQPMTJJRQATOG-UHFFFAOYSA-N
XLogP2.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone (CID 67092224) is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone is CNC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is NBQPMTJJRQATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-24-19-8-11-27(14-19)22(29)15-28-20(12-16-2-4-18(23)5-3-16)13-21(26-28)17-6-9-25-10-7-17/h2-7,9-10,13,19,24H,8,11-12,14-15H2,1H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 393.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 67092224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).