2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide

C23H27ClN4O2 — CID 134125983

IUPAC2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CC1C(C)NNC1c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-15-19(23(27-26-15)16-6-8-17(24)9-7-16)14-22(29)25-11-13-28-12-10-18-20(28)4-3-5-21(18)30-2/h3-10,12,15,19,23,26-27H,11,13-14H2,1-2H3,(H,25,29)
InChIKeyDOOVAEJMWKUGHW-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.66
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide

2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide (PubChem CID 134125983) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
PubChem CID134125983
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CC1C(C)NNC1c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-15-19(23(27-26-15)16-6-8-17(24)9-7-16)14-22(29)25-11-13-28-12-10-18-20(28)4-3-5-21(18)30-2/h3-10,12,15,19,23,26-27H,11,13-14H2,1-2H3,(H,25,29)
InChIKeyDOOVAEJMWKUGHW-UHFFFAOYSA-N
XLogP3.66
TPSA67.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 78154014
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyindol-1-yl)ethyl]propanamide
CID 71710011
3-chloro-N-[2-(4-methoxyindol-1-yl)ethyl]aniline
CID 83164894
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
CID 71825514
N-[2-(4-methoxyindol-1-yl)ethyl]-1-oxo-4H-isoquinoline-4-carboxamide
CID 78149801
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide (CID 134125983) is 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide is COc1cccc2c1ccn2CCNC(=O)CC1C(C)NNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The InChIKey is DOOVAEJMWKUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-15-19(23(27-26-15)16-6-8-17(24)9-7-16)14-22(29)25-11-13-28-12-10-18-20(28)4-3-5-21(18)30-2/h3-10,12,15,19,23,26-27H,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide has a molecular weight of 426.95 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 134125983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).