1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C24H28FN5O2 — CID 66660947

IUPAC1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCC(OC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1ccn[nH]1
InChIInChI=1S/C24H28FN5O2/c1-17(22-9-13-28-29-22)32-24(31)26-12-8-18-10-14-30(15-11-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,9,13,16-18H,8,10-12,14-15H2,1H3,(H,26,31)(H,28,29)
InChIKeyWQDSVTUKANYODG-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.70
Rot. Bonds7

About 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 66660947) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID66660947
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCC(OC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1ccn[nH]1
InChIInChI=1S/C24H28FN5O2/c1-17(22-9-13-28-29-22)32-24(31)26-12-8-18-10-14-30(15-11-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,9,13,16-18H,8,10-12,14-15H2,1H3,(H,26,31)(H,28,29)
InChIKeyWQDSVTUKANYODG-UHFFFAOYSA-N
XLogP4.70
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 66660947) is 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is CC(OC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is WQDSVTUKANYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17(22-9-13-28-29-22)32-24(31)26-12-8-18-10-14-30(15-11-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,9,13,16-18H,8,10-12,14-15H2,1H3,(H,26,31)(H,28,29).
What are the key properties of 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 437.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)ethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 66660947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).