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

C129H102F4N16O15 — CID 158217070

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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.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
InChIInChI=1S/C28H23N3O3.2C27H20FN3O3.C24H19F2N3O3.C23H20N4O3/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;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;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30)
InChIKeyGCUCGDSDBSZDDJ-UHFFFAOYSA-N
MW2192.32 g/mol
LogP24.16
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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid (PubChem CID 158217070) has the molecular formula C129H102F4N16O15 and a molecular weight of 2192.32 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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid
PubChem CID158217070
Molecular FormulaC129H102F4N16O15
Molecular Weight2192.32 g/mol
Exact Mass2190.76
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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.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
InChIInChI=1S/C28H23N3O3.2C27H20FN3O3.C24H19F2N3O3.C23H20N4O3/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;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;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30)
InChIKeyGCUCGDSDBSZDDJ-UHFFFAOYSA-N
XLogP24.16
TPSA433.99 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.32
LogP ≤ 524.16
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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid (CID 158217070) 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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid is Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccc(F)cc43)cc2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.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.
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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid?
The InChIKey is GCUCGDSDBSZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3.2C27H20FN3O3.C24H19F2N3O3.C23H20N4O3/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;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;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29/h2-15H,16-17H2,1H3,(H,29,34)(H,32,33);2*1-14H,15-16H2,(H,29,34)(H,32,33);2-11H,12-13H2,1H3,(H,27,32)(H,30,31);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30).
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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid has a molecular weight of 2192.32 g/mol, XLogP of 24.16, 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-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 158217070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).