1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone

C23H24F3N5O — CID 131998625

IUPAC1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccncc1Nc1c(-c2ccc(F)cc2)cnn1CCN1CCC(F)(F)CC1
InChIInChI=1S/C23H24F3N5O/c1-16(32)19-6-9-27-15-21(19)29-22-20(17-2-4-18(24)5-3-17)14-28-31(22)13-12-30-10-7-23(25,26)8-11-30/h2-6,9,14-15,29H,7-8,10-13H2,1H3
InChIKeyZAEXNLUNNLXZGN-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.76
Rot. Bonds7

About 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone

1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone (PubChem CID 131998625) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone
PubChem CID131998625
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccncc1Nc1c(-c2ccc(F)cc2)cnn1CCN1CCC(F)(F)CC1
InChIInChI=1S/C23H24F3N5O/c1-16(32)19-6-9-27-15-21(19)29-22-20(17-2-4-18(24)5-3-17)14-28-31(22)13-12-30-10-7-23(25,26)8-11-30/h2-6,9,14-15,29H,7-8,10-13H2,1H3
InChIKeyZAEXNLUNNLXZGN-UHFFFAOYSA-N
XLogP4.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone?
The IUPAC name of 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone (CID 131998625) is 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone is CC(=O)c1ccncc1Nc1c(-c2ccc(F)cc2)cnn1CCN1CCC(F)(F)CC1.
What is the InChIKey of 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone?
The InChIKey is ZAEXNLUNNLXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-16(32)19-6-9-27-15-21(19)29-22-20(17-2-4-18(24)5-3-17)14-28-31(22)13-12-30-10-7-23(25,26)8-11-30/h2-6,9,14-15,29H,7-8,10-13H2,1H3.
What are the key properties of 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone?
1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone has a molecular weight of 443.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone is sourced from PubChem (CID 131998625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).