2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide

C24H20ClN5O4 — CID 44621303

IUPAC2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCn1cc(C2=C(c3nn(CC(=O)NCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C24H20ClN5O4/c1-29-11-16(15-10-13(25)6-7-17(15)29)20-21(24(34)27-23(20)33)22-14-4-2-3-5-18(14)30(28-22)12-19(32)26-8-9-31/h2-7,10-11,31H,8-9,12H2,1H3,(H,26,32)(H,27,33,34)
InChIKeySYFUGEGYGOWSBQ-UHFFFAOYSA-N
MW477.91 g/mol
LogP1.86
Rot. Bonds6

About 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 44621303) has the molecular formula C24H20ClN5O4 and a molecular weight of 477.91 g/mol. Its IUPAC name is 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID44621303
Molecular FormulaC24H20ClN5O4
Molecular Weight477.91 g/mol
Exact Mass477.12
IUPAC Name2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCn1cc(C2=C(c3nn(CC(=O)NCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C24H20ClN5O4/c1-29-11-16(15-10-13(25)6-7-17(15)29)20-21(24(34)27-23(20)33)22-14-4-2-3-5-18(14)30(28-22)12-19(32)26-8-9-31/h2-7,10-11,31H,8-9,12H2,1H3,(H,26,32)(H,27,33,34)
InChIKeySYFUGEGYGOWSBQ-UHFFFAOYSA-N
XLogP1.86
TPSA118.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.91
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 44621303) is 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide is Cn1cc(C2=C(c3nn(CC(=O)NCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is SYFUGEGYGOWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O4/c1-29-11-16(15-10-13(25)6-7-17(15)29)20-21(24(34)27-23(20)33)22-14-4-2-3-5-18(14)30(28-22)12-19(32)26-8-9-31/h2-7,10-11,31H,8-9,12H2,1H3,(H,26,32)(H,27,33,34).
What are the key properties of 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 477.91 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 44621303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).