1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

C26H26FN5O — CID 11408132

IUPAC1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)cc1)Nc1ccc2nn(CCN3CCCC3)cc2c1
InChIInChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)28-26(33)29-24-11-12-25-21(17-24)18-32(30-25)16-15-31-13-1-2-14-31/h3-12,17-18H,1-2,13-16H2,(H2,28,29,33)
InChIKeyOTTIPTZBFNLKBM-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.58
Rot. Bonds6

About 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea (PubChem CID 11408132) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
PubChem CID11408132
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)cc1)Nc1ccc2nn(CCN3CCCC3)cc2c1
InChIInChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)28-26(33)29-24-11-12-25-21(17-24)18-32(30-25)16-15-31-13-1-2-14-31/h3-12,17-18H,1-2,13-16H2,(H2,28,29,33)
InChIKeyOTTIPTZBFNLKBM-UHFFFAOYSA-N
XLogP5.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(1H-indazol-5-yl)urea
CID 11488078
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-benzylphenyl}methyl)-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749569
1-[[3-Tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162655621
1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
1-[3-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-5-yl)-urea
CID 11004681
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11016395
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-5-yl)-urea
CID 11048445
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11812916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea (CID 11408132) is 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea is O=C(Nc1ccc(-c2ccc(F)cc2)cc1)Nc1ccc2nn(CCN3CCCC3)cc2c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
The InChIKey is OTTIPTZBFNLKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-22-7-3-19(4-8-22)20-5-9-23(10-6-20)28-26(33)29-24-11-12-25-21(17-24)18-32(30-25)16-15-31-13-1-2-14-31/h3-12,17-18H,1-2,13-16H2,(H2,28,29,33).
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea?
1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea has a molecular weight of 443.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-3-[2-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea is sourced from PubChem (CID 11408132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).