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

C27H29N5O4 — CID 5329622

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2
InChIInChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30)
InChIKeyLEKQENSPYUBVKS-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.52
Rot. Bonds5

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

2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329622) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329622
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2
InChIInChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30)
InChIKeyLEKQENSPYUBVKS-UHFFFAOYSA-N
XLogP2.52
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329622) is 2-(4-hydroxypiperidin-1-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-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is O=C(CN1CCC(O)CC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is LEKQENSPYUBVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).