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

C25H27N5O3 — CID 5329618

IUPACN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCC(O)CC4)cccc2-3)cc1
InChIInChI=1S/C25H27N5O3/c1-29(2)16-8-6-15(7-9-16)23-22-24(28-27-23)18-4-3-5-19(21(18)25(22)33)26-20(32)14-30-12-10-17(31)11-13-30/h3-9,17,31H,10-14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyITGHQSNMEJUHKF-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.75
Rot. Bonds5

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

N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 5329618) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID5329618
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCC(O)CC4)cccc2-3)cc1
InChIInChI=1S/C25H27N5O3/c1-29(2)16-8-6-15(7-9-16)23-22-24(28-27-23)18-4-3-5-19(21(18)25(22)33)26-20(32)14-30-12-10-17(31)11-13-30/h3-9,17,31H,10-14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyITGHQSNMEJUHKF-UHFFFAOYSA-N
XLogP2.75
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide (CID 5329618) is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide is CN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCC(O)CC4)cccc2-3)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is ITGHQSNMEJUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-29(2)16-8-6-15(7-9-16)23-22-24(28-27-23)18-4-3-5-19(21(18)25(22)33)26-20(32)14-30-12-10-17(31)11-13-30/h3-9,17,31H,10-14H2,1-2H3,(H,26,32)(H,27,28).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide?
N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 5329618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).