1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea

C76H72F8N16O4 — CID 162052737

IUPAC1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea
SMILESCC(C)(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CC(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C20H20F2N4O.2C19H18F2N4O.C18H16F2N4O/c1-20(2,3)24-19(27)23-18-10-14-16(25-26-17(14)11-15(18)22)9-6-12-4-7-13(21)8-5-12;1-11(2)22-19(26)23-18-9-14-16(24-25-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-9-22-19(26)23-18-10-14-16(24-25-17(14)11-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h4-11H,1-3H3,(H,25,26)(H2,23,24,27);3-11H,1-2H3,(H,24,25)(H2,22,23,26);3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,22,23,26);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b9-6+;3*8-5+
InChIKeyYYTLERQHOOEKEX-SHYYIOOESA-N
MW1425.50 g/mol
LogP18.17
Rot. Bonds16

About 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea

1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea (PubChem CID 162052737) has the molecular formula C76H72F8N16O4 and a molecular weight of 1425.50 g/mol. Its IUPAC name is 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea.

Molecular Properties

Compound Name1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea
PubChem CID162052737
Molecular FormulaC76H72F8N16O4
Molecular Weight1425.50 g/mol
Exact Mass1424.58
IUPAC Name1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea
SMILESCC(C)(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CC(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C20H20F2N4O.2C19H18F2N4O.C18H16F2N4O/c1-20(2,3)24-19(27)23-18-10-14-16(25-26-17(14)11-15(18)22)9-6-12-4-7-13(21)8-5-12;1-11(2)22-19(26)23-18-9-14-16(24-25-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-9-22-19(26)23-18-10-14-16(24-25-17(14)11-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h4-11H,1-3H3,(H,25,26)(H2,23,24,27);3-11H,1-2H3,(H,24,25)(H2,22,23,26);3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,22,23,26);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b9-6+;3*8-5+
InChIKeyYYTLERQHOOEKEX-SHYYIOOESA-N
XLogP18.17
TPSA279.24 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.50
LogP ≤ 518.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea?
The IUPAC name of 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea (CID 162052737) is 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea.
What is the SMILES notation for 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea?
The canonical SMILES for 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea is CC(C)(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CC(C)NC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CCNC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.
What is the InChIKey of 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea?
The InChIKey is YYTLERQHOOEKEX-SHYYIOOESA-N. The full InChI is InChI=1S/C20H20F2N4O.2C19H18F2N4O.C18H16F2N4O/c1-20(2,3)24-19(27)23-18-10-14-16(25-26-17(14)11-15(18)22)9-6-12-4-7-13(21)8-5-12;1-11(2)22-19(26)23-18-9-14-16(24-25-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-9-22-19(26)23-18-10-14-16(24-25-17(14)11-15(18)21)8-5-12-3-6-13(20)7-4-12;1-2-21-18(25)22-17-9-13-15(23-24-16(13)10-14(17)20)8-5-11-3-6-12(19)7-4-11/h4-11H,1-3H3,(H,25,26)(H2,23,24,27);3-11H,1-2H3,(H,24,25)(H2,22,23,26);3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,22,23,26);3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)/b9-6+;3*8-5+.
What are the key properties of 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea?
1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea has a molecular weight of 1425.50 g/mol, XLogP of 18.17, 16 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-ethyl-3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]urea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propan-2-ylurea;1-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-propylurea is sourced from PubChem (CID 162052737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).