N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide

C26H24N4O4 — CID 155542519

IUPACN-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3[nH]nc(-c4ccc5c(ccn5CCO)c4)c3c2)c1
InChIInChI=1S/C26H24N4O4/c1-33-20-12-18(13-21(15-20)34-2)26(32)27-19-4-5-23-22(14-19)25(29-28-23)17-3-6-24-16(11-17)7-8-30(24)9-10-31/h3-8,11-15,31H,9-10H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyGWVZSVLDZYCPOQ-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.45
Rot. Bonds7

About N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide

N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide (PubChem CID 155542519) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide
PubChem CID155542519
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3[nH]nc(-c4ccc5c(ccn5CCO)c4)c3c2)c1
InChIInChI=1S/C26H24N4O4/c1-33-20-12-18(13-21(15-20)34-2)26(32)27-19-4-5-23-22(14-19)25(29-28-23)17-3-6-24-16(11-17)7-8-30(24)9-10-31/h3-8,11-15,31H,9-10H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyGWVZSVLDZYCPOQ-UHFFFAOYSA-N
XLogP4.45
TPSA101.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide (CID 155542519) is N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3[nH]nc(-c4ccc5c(ccn5CCO)c4)c3c2)c1.
What is the InChIKey of N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide?
The InChIKey is GWVZSVLDZYCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-33-20-12-18(13-21(15-20)34-2)26(32)27-19-4-5-23-22(14-19)25(29-28-23)17-3-6-24-16(11-17)7-8-30(24)9-10-31/h3-8,11-15,31H,9-10H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide?
N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide has a molecular weight of 456.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-hydroxyethyl)indol-5-yl]-1H-indazol-5-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 155542519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).