2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C26H27N5O4 — CID 5329621

IUPAC2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2
InChIInChI=1S/C26H27N5O4/c32-21(16-30-8-12-34-13-9-30)27-20-3-1-2-19-22(20)26(33)23-24(28-29-25(19)23)17-4-6-18(7-5-17)31-10-14-35-15-11-31/h1-7H,8-16H2,(H,27,32)(H,28,29)
InChIKeyXACARXKEKLHSQO-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.40
Rot. Bonds5

About 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329621) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329621
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2
InChIInChI=1S/C26H27N5O4/c32-21(16-30-8-12-34-13-9-30)27-20-3-1-2-19-22(20)26(33)23-24(28-29-25(19)23)17-4-6-18(7-5-17)31-10-14-35-15-11-31/h1-7H,8-16H2,(H,27,32)(H,28,29)
InChIKeyXACARXKEKLHSQO-UHFFFAOYSA-N
XLogP2.40
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329621) is 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is O=C(CN1CCOCC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2.
What is the InChIKey of 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is XACARXKEKLHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c32-21(16-30-8-12-34-13-9-30)27-20-3-1-2-19-22(20)26(33)23-24(28-29-25(19)23)17-4-6-18(7-5-17)31-10-14-35-15-11-31/h1-7H,8-16H2,(H,27,32)(H,28,29).
What are the key properties of 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).