1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea

C24H28FN5O2 — CID 11517754

IUPAC1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H28FN5O2/c1-29-22(11-12-26-29)19-17-18(27-24(31)28-21-8-4-3-7-20(21)25)9-10-23(19)32-16-15-30-13-5-2-6-14-30/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H2,27,28,31)
InChIKeyDJNUUZQLRPLLSY-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.73
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea

1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea (PubChem CID 11517754) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
PubChem CID11517754
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H28FN5O2/c1-29-22(11-12-26-29)19-17-18(27-24(31)28-21-8-4-3-7-20(21)25)9-10-23(19)32-16-15-30-13-5-2-6-14-30/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H2,27,28,31)
InChIKeyDJNUUZQLRPLLSY-UHFFFAOYSA-N
XLogP4.73
TPSA71.42 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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea (CID 11517754) is 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea is Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea?
The InChIKey is DJNUUZQLRPLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-29-22(11-12-26-29)19-17-18(27-24(31)28-21-8-4-3-7-20(21)25)9-10-23(19)32-16-15-30-13-5-2-6-14-30/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H2,27,28,31).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea?
1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea has a molecular weight of 437.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 11517754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).