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

C25H28N6O3 — CID 139912377

IUPAC2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCN(N(C)C)CC4)cccc2-3)cc1
InChIInChI=1S/C25H28N6O3/c1-29(2)31-13-11-30(12-14-31)15-20(32)26-19-6-4-5-18-21(19)25(33)22-23(27-28-24(18)22)16-7-9-17(34-3)10-8-16/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyLQICANMBHMKMTN-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.33
Rot. Bonds6

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

2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 139912377) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID139912377
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCN(N(C)C)CC4)cccc2-3)cc1
InChIInChI=1S/C25H28N6O3/c1-29(2)31-13-11-30(12-14-31)15-20(32)26-19-6-4-5-18-21(19)25(33)22-23(27-28-24(18)22)16-7-9-17(34-3)10-8-16/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyLQICANMBHMKMTN-UHFFFAOYSA-N
XLogP2.33
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329739
2-amino-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329738
1-acetyl-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(2-phenylethylamino)urea
CID 69470511
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
1-[3-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea;dihydrochloride
CID 162337804
1-[4-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]-3-(4-propan-2-ylpiperazin-1-yl)urea;dihydrochloride
CID 162307756
1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 18188243
2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
CID 5329640
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742448
1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 5330030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 139912377) is 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCN(N(C)C)CC4)cccc2-3)cc1.
What is the InChIKey of 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is LQICANMBHMKMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-29(2)31-13-11-30(12-14-31)15-20(32)26-19-6-4-5-18-21(19)25(33)22-23(27-28-24(18)22)16-7-9-17(34-3)10-8-16/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28).
What are the key properties of 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 139912377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).