2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

C34H30FN5O2 — CID 137116205

IUPAC2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C34H30FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h4,7-10,12-20,38,41H,1-3,5-6,11H2,(H,37,42)(H,39,40)
InChIKeyJYTQQLBUGRNJDB-UHFFFAOYSA-N
MW559.65 g/mol
LogP8.19
Rot. Bonds6

About 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137116205) has the molecular formula C34H30FN5O2 and a molecular weight of 559.65 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID137116205
Molecular FormulaC34H30FN5O2
Molecular Weight559.65 g/mol
Exact Mass559.24
IUPAC Name2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C34H30FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h4,7-10,12-20,38,41H,1-3,5-6,11H2,(H,37,42)(H,39,40)
InChIKeyJYTQQLBUGRNJDB-UHFFFAOYSA-N
XLogP8.19
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.65
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137116205) is 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is JYTQQLBUGRNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN5O2/c35-24-12-22(14-26(41)16-24)27-7-4-8-30-28(27)17-32(38-30)34-29-15-21(9-10-31(29)39-40-34)23-13-25(19-36-18-23)37-33(42)11-20-5-2-1-3-6-20/h4,7-10,12-20,38,41H,1-3,5-6,11H2,(H,37,42)(H,39,40).
What are the key properties of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 559.65 g/mol, XLogP of 8.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137116205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).