1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

C26H26FN5O — CID 11282190

IUPAC1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
SMILESNC(=O)N(c1ccc(-c2ccc(F)cc2)cc1)c1ccc2nn(CCN3CCCC3)cc2c1
InChIInChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)32(26(28)33)24-11-12-25-21(17-24)18-31(29-25)16-15-30-13-1-2-14-30/h3-12,17-18H,1-2,13-16H2,(H2,28,33)
InChIKeyKCFHOWLCCFLJMH-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.16
Rot. Bonds6

About 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea (PubChem CID 11282190) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
PubChem CID11282190
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
SMILESNC(=O)N(c1ccc(-c2ccc(F)cc2)cc1)c1ccc2nn(CCN3CCCC3)cc2c1
InChIInChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)32(26(28)33)24-11-12-25-21(17-24)18-31(29-25)16-15-30-13-1-2-14-30/h3-12,17-18H,1-2,13-16H2,(H2,28,33)
InChIKeyKCFHOWLCCFLJMH-UHFFFAOYSA-N
XLogP5.16
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea (CID 11282190) is 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea is NC(=O)N(c1ccc(-c2ccc(F)cc2)cc1)c1ccc2nn(CCN3CCCC3)cc2c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The InChIKey is KCFHOWLCCFLJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)32(26(28)33)24-11-12-25-21(17-24)18-31(29-25)16-15-30-13-1-2-14-30/h3-12,17-18H,1-2,13-16H2,(H2,28,33).
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea has a molecular weight of 443.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-1-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea is sourced from PubChem (CID 11282190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).