1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea

C26H24ClN7O — CID 21079250

IUPAC1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea
SMILESO=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C26H24ClN7O/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35)
InChIKeyZWAMOUQADQNCHK-UHFFFAOYSA-N
MW485.98 g/mol
LogP5.74
Rot. Bonds8

About 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea

1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea (PubChem CID 21079250) has the molecular formula C26H24ClN7O and a molecular weight of 485.98 g/mol. Its IUPAC name is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea
PubChem CID21079250
Molecular FormulaC26H24ClN7O
Molecular Weight485.98 g/mol
Exact Mass485.17
IUPAC Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea
SMILESO=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C26H24ClN7O/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35)
InChIKeyZWAMOUQADQNCHK-UHFFFAOYSA-N
XLogP5.74
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 173041229
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
4-(4-pyridin-3-ylimidazol-1-yl)butan-1-amine;trihydrochloride
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CID 10066676
O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
CID 174376686
3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
CID 139311770
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
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6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-phenylurea
CID 157362037
2-oxo-2-[2-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]isoindol-1-yl]acetaldehyde
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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea?
The IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea (CID 21079250) is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea.
What is the SMILES notation for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea?
The canonical SMILES for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea is O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea?
The InChIKey is ZWAMOUQADQNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35).
What are the key properties of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea?
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea has a molecular weight of 485.98 g/mol, XLogP of 5.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea is sourced from PubChem (CID 21079250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).