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

C35H32FN5O2 — CID 137115419

IUPAC2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C35H32FN5O2/c1-43-27-15-23(13-25(36)17-27)28-8-5-9-31-29(28)18-33(39-31)35-30-16-22(10-11-32(30)40-41-35)24-14-26(20-37-19-24)38-34(42)12-21-6-3-2-4-7-21/h5,8-11,13-21,39H,2-4,6-7,12H2,1H3,(H,38,42)(H,40,41)
InChIKeyJYRAKSBYJMGRGN-UHFFFAOYSA-N
MW573.67 g/mol
LogP8.50
Rot. Bonds7

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

2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137115419) has the molecular formula C35H32FN5O2 and a molecular weight of 573.67 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID137115419
Molecular FormulaC35H32FN5O2
Molecular Weight573.67 g/mol
Exact Mass573.25
IUPAC Name2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C35H32FN5O2/c1-43-27-15-23(13-25(36)17-27)28-8-5-9-31-29(28)18-33(39-31)35-30-16-22(10-11-32(30)40-41-35)24-14-26(20-37-19-24)38-34(42)12-21-6-3-2-4-7-21/h5,8-11,13-21,39H,2-4,6-7,12H2,1H3,(H,38,42)(H,40,41)
InChIKeyJYRAKSBYJMGRGN-UHFFFAOYSA-N
XLogP8.50
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.67
LogP ≤ 58.50
H-Bond Donors ≤ 53
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-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137115419) is 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-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-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is JYRAKSBYJMGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O2/c1-43-27-15-23(13-25(36)17-27)28-8-5-9-31-29(28)18-33(39-31)35-30-16-22(10-11-32(30)40-41-35)24-14-26(20-37-19-24)38-34(42)12-21-6-3-2-4-7-21/h5,8-11,13-21,39H,2-4,6-7,12H2,1H3,(H,38,42)(H,40,41).
What are the key properties of 2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 573.67 g/mol, XLogP of 8.50, 7 rotatable bonds, 3 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-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137115419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).