1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea

C28H34N8O2 — CID 70153860

IUPAC1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea
SMILESCCN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C28H34N8O2/c1-3-33-13-15-34(16-14-33)20-9-7-19(8-10-20)25-24-26(31-30-25)21-5-4-6-22(23(21)27(24)37)36(28(29)38)35-17-11-32(2)12-18-35/h4-10H,3,11-18H2,1-2H3,(H2,29,38)(H,30,31)
InChIKeyFVQIKLRPFQNORY-UHFFFAOYSA-N
MW514.63 g/mol
LogP2.48
Rot. Bonds5

About 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea

1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea (PubChem CID 70153860) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea
PubChem CID70153860
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea
SMILESCCN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C28H34N8O2/c1-3-33-13-15-34(16-14-33)20-9-7-19(8-10-20)25-24-26(31-30-25)21-5-4-6-22(23(21)27(24)37)36(28(29)38)35-17-11-32(2)12-18-35/h4-10H,3,11-18H2,1-2H3,(H2,29,38)(H,30,31)
InChIKeyFVQIKLRPFQNORY-UHFFFAOYSA-N
XLogP2.48
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea with MolForge

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Related Compounds

1-morpholin-4-yl-1-[4-oxo-3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 22449106
1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-[4-oxo-3-(4-piperazin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 70155421
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-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
1-(4-methylpiperazin-1-yl)-1-[4-oxo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-8bH-indeno[1,2-c]pyrazol-5-yl]urea
CID 70155429
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
tert-butyl 4-[5-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate
CID 70154072
1-[3-[5-[2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carbonyl]thiophen-2-yl]-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]-1-morpholin-4-ylurea
CID 70155037
4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 141064167
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
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 11285002

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea (CID 70153860) is 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea is CCN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea?
The InChIKey is FVQIKLRPFQNORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-3-33-13-15-34(16-14-33)20-9-7-19(8-10-20)25-24-26(31-30-25)21-5-4-6-22(23(21)27(24)37)36(28(29)38)35-17-11-32(2)12-18-35/h4-10H,3,11-18H2,1-2H3,(H2,29,38)(H,30,31).
What are the key properties of 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea?
1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea has a molecular weight of 514.63 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 70153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).