1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea

C26H26FN5O2 — CID 86710953

IUPAC1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
SMILESCN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)Nc5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C26H26FN5O2/c1-32-14-12-20(13-15-32)34-19-9-6-17(7-10-19)25-21-16-18(8-11-23(21)30-31-25)28-26(33)29-24-5-3-2-4-22(24)27/h2-11,16,20H,12-15H2,1H3,(H,30,31)(H2,28,29,33)
InChIKeyZOIOVAPTAAYPOP-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.49
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea

1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea (PubChem CID 86710953) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
PubChem CID86710953
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
SMILESCN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)Nc5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C26H26FN5O2/c1-32-14-12-20(13-15-32)34-19-9-6-17(7-10-19)25-21-16-18(8-11-23(21)30-31-25)28-26(33)29-24-5-3-2-4-22(24)27/h2-11,16,20H,12-15H2,1H3,(H,30,31)(H2,28,29,33)
InChIKeyZOIOVAPTAAYPOP-UHFFFAOYSA-N
XLogP5.49
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 86710947
2-(azetidin-1-yl)-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 86711069
1-(2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147537837
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
N-[3-[4-[1-(2-fluoroethyl)piperidin-4-yl]oxyphenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 86710994
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 86711054
1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147125187
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
CID 86710981
1-[4-amino-3-[4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]phenyl]-3-(2-chlorophenyl)urea
CID 134567191
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea (CID 86710953) is 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea is CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)Nc5ccccc5F)cc34)cc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea?
The InChIKey is ZOIOVAPTAAYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-32-14-12-20(13-15-32)34-19-9-6-17(7-10-19)25-21-16-18(8-11-23(21)30-31-25)28-26(33)29-24-5-3-2-4-22(24)27/h2-11,16,20H,12-15H2,1H3,(H,30,31)(H2,28,29,33).
What are the key properties of 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea?
1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea has a molecular weight of 459.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea is sourced from PubChem (CID 86710953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).