N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide

C56H52Cl3N9O6 — CID 158121327

IUPACN-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccoc3)cc12
InChIInChI=1S/C24H22ClN3O2.C17H16ClN3O2.C15H14ClN3O2/c1-2-6-23(29)26-24-20-11-9-17(13-22(20)27-28-24)19-12-10-18(14-21(19)25)30-15-16-7-4-3-5-8-16;1-2-3-16(23)19-17-13-6-4-10(8-15(13)20-21-17)12-7-5-11(22)9-14(12)18;1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h3-5,7-14H,2,6,15H2,1H3,(H2,26,27,28,29);4-9,22H,2-3H2,1H3,(H2,19,20,21,23);4-8H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyFRQHANAVLTVQOL-UHFFFAOYSA-N
MW1053.45 g/mol
LogP14.74
Rot. Bonds15

About N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide

N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 158121327) has the molecular formula C56H52Cl3N9O6 and a molecular weight of 1053.45 g/mol. Its IUPAC name is N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID158121327
Molecular FormulaC56H52Cl3N9O6
Molecular Weight1053.45 g/mol
Exact Mass1051.31
IUPAC NameN-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccoc3)cc12
InChIInChI=1S/C24H22ClN3O2.C17H16ClN3O2.C15H14ClN3O2/c1-2-6-23(29)26-24-20-11-9-17(13-22(20)27-28-24)19-12-10-18(14-21(19)25)30-15-16-7-4-3-5-8-16;1-2-3-16(23)19-17-13-6-4-10(8-15(13)20-21-17)12-7-5-11(22)9-14(12)18;1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h3-5,7-14H,2,6,15H2,1H3,(H2,26,27,28,29);4-9,22H,2-3H2,1H3,(H2,19,20,21,23);4-8H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyFRQHANAVLTVQOL-UHFFFAOYSA-N
XLogP14.74
TPSA215.94 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.45
LogP ≤ 514.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide (CID 158121327) is N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3Cl)ccc12.CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccoc3)cc12.
What is the InChIKey of N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is FRQHANAVLTVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2.C17H16ClN3O2.C15H14ClN3O2/c1-2-6-23(29)26-24-20-11-9-17(13-22(20)27-28-24)19-12-10-18(14-21(19)25)30-15-16-7-4-3-5-8-16;1-2-3-16(23)19-17-13-6-4-10(8-15(13)20-21-17)12-7-5-11(22)9-14(12)18;1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h3-5,7-14H,2,6,15H2,1H3,(H2,26,27,28,29);4-9,22H,2-3H2,1H3,(H2,19,20,21,23);4-8H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 1053.45 g/mol, XLogP of 14.74, 15 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 158121327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).