N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide

C24H26N4O2 — CID 10092521

IUPACN-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN4CCC(O)CC4)ccc2-3)c1
InChIInChI=1S/C24H26N4O2/c1-15(29)25-19-4-2-3-17(12-19)23-22-13-18-11-16(5-6-21(18)24(22)27-26-23)14-28-9-7-20(30)8-10-28/h2-6,11-12,20,30H,7-10,13-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyFVHNOYFOKUFJQJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.56
Rot. Bonds4

About N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide

N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide (PubChem CID 10092521) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
PubChem CID10092521
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN4CCC(O)CC4)ccc2-3)c1
InChIInChI=1S/C24H26N4O2/c1-15(29)25-19-4-2-3-17(12-19)23-22-13-18-11-16(5-6-21(18)24(22)27-26-23)14-28-9-7-20(30)8-10-28/h2-6,11-12,20,30H,7-10,13-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyFVHNOYFOKUFJQJ-UHFFFAOYSA-N
XLogP3.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
CID 122495432
pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone
CID 69199030
6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole
CID 69201978
2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
CID 18415855
2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
CID 18416016
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CID 70701585
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CID 71972865
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
[5-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]methylcarbamic acid
CID 69202952
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide (CID 10092521) is N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN4CCC(O)CC4)ccc2-3)c1.
What is the InChIKey of N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide?
The InChIKey is FVHNOYFOKUFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(29)25-19-4-2-3-17(12-19)23-22-13-18-11-16(5-6-21(18)24(22)27-26-23)14-28-9-7-20(30)8-10-28/h2-6,11-12,20,30H,7-10,13-14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide?
N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 10092521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).