2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid

C132H102F4N16O15 — CID 159245905

IUPAC2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc2cc(C(=O)Nc3ccc(Cn4nc(CC(=O)O)c5ccccc54)cc3)ccc2c1.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2cc(F)ccc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccc(F)cc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12
InChIInChI=1S/C28H23N3O3.2C27H20FN3O3.C26H20N4O3.C24H19F2N3O3/c1-18-6-9-21-15-22(11-10-20(21)14-18)28(34)29-23-12-7-19(8-13-23)17-31-26-5-3-2-4-24(26)25(30-31)16-27(32)33;28-21-9-12-25-23(14-21)24(15-26(32)33)30-31(25)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;28-21-9-12-23-24(15-26(32)33)30-31(25(23)14-21)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20;1-14-2-8-18(20(26)10-14)24(32)27-17-6-3-15(4-7-17)13-29-22-11-16(25)5-9-19(22)21(28-29)12-23(30)31/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);1-13,15H,14,16H2,(H,31,32)(H,27,28,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31)
InChIKeyKURHKLBEOXFLFZ-UHFFFAOYSA-N
MW2228.36 g/mol
LogP25.00
Rot. Bonds30

About 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid

2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid (PubChem CID 159245905) has the molecular formula C132H102F4N16O15 and a molecular weight of 2228.36 g/mol. Its IUPAC name is 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
PubChem CID159245905
Molecular FormulaC132H102F4N16O15
Molecular Weight2228.36 g/mol
Exact Mass2226.76
IUPAC Name2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc2cc(C(=O)Nc3ccc(Cn4nc(CC(=O)O)c5ccccc54)cc3)ccc2c1.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2cc(F)ccc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccc(F)cc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12
InChIInChI=1S/C28H23N3O3.2C27H20FN3O3.C26H20N4O3.C24H19F2N3O3/c1-18-6-9-21-15-22(11-10-20(21)14-18)28(34)29-23-12-7-19(8-13-23)17-31-26-5-3-2-4-24(26)25(30-31)16-27(32)33;28-21-9-12-25-23(14-21)24(15-26(32)33)30-31(25)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;28-21-9-12-23-24(15-26(32)33)30-31(25(23)14-21)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20;1-14-2-8-18(20(26)10-14)24(32)27-17-6-3-15(4-7-17)13-29-22-11-16(25)5-9-19(22)21(28-29)12-23(30)31/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);1-13,15H,14,16H2,(H,31,32)(H,27,28,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31)
InChIKeyKURHKLBEOXFLFZ-UHFFFAOYSA-N
XLogP25.00
TPSA433.99 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002228.36
LogP ≤ 525.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid (CID 159245905) is 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid is Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc2cc(C(=O)Nc3ccc(Cn4nc(CC(=O)O)c5ccccc54)cc3)ccc2c1.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2cc(F)ccc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccc(F)cc12.O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12.
What is the InChIKey of 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The InChIKey is KURHKLBEOXFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3.2C27H20FN3O3.C26H20N4O3.C24H19F2N3O3/c1-18-6-9-21-15-22(11-10-20(21)14-18)28(34)29-23-12-7-19(8-13-23)17-31-26-5-3-2-4-24(26)25(30-31)16-27(32)33;28-21-9-12-25-23(14-21)24(15-26(32)33)30-31(25)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;28-21-9-12-23-24(15-26(32)33)30-31(25(23)14-21)16-17-5-10-22(11-6-17)29-27(34)20-8-7-18-3-1-2-4-19(18)13-20;31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20;1-14-2-8-18(20(26)10-14)24(32)27-17-6-3-15(4-7-17)13-29-22-11-16(25)5-9-19(22)21(28-29)12-23(30)31/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);1-13,15H,14,16H2,(H,31,32)(H,27,28,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31).
What are the key properties of 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid has a molecular weight of 2228.36 g/mol, XLogP of 25.00, 30 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 159245905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).