2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide

C29H35N5O3 — CID 10217813

IUPAC2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide
SMILESCc1[nH]nc2ccc(C(C(=O)N(C)C)N3C(=O)C(C4Cc5ccccc5C4)NC(=O)C3CC(C)C)cc12
InChIInChI=1S/C29H35N5O3/c1-16(2)12-24-27(35)30-25(21-13-18-8-6-7-9-19(18)14-21)28(36)34(24)26(29(37)33(4)5)20-10-11-23-22(15-20)17(3)31-32-23/h6-11,15-16,21,24-26H,12-14H2,1-5H3,(H,30,35)(H,31,32)
InChIKeyOGQDMWLCTYUMNI-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.16
Rot. Bonds6

About 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide

2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide (PubChem CID 10217813) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide
PubChem CID10217813
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide
SMILESCc1[nH]nc2ccc(C(C(=O)N(C)C)N3C(=O)C(C4Cc5ccccc5C4)NC(=O)C3CC(C)C)cc12
InChIInChI=1S/C29H35N5O3/c1-16(2)12-24-27(35)30-25(21-13-18-8-6-7-9-19(18)14-21)28(36)34(24)26(29(37)33(4)5)20-10-11-23-22(15-20)17(3)31-32-23/h6-11,15-16,21,24-26H,12-14H2,1-5H3,(H,30,35)(H,31,32)
InChIKeyOGQDMWLCTYUMNI-UHFFFAOYSA-N
XLogP3.16
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide with MolForge

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Related Compounds

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N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
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2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
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[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
5-(2-fluorophenyl)-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714649
{4-[({[5-(2,3-difluorophenyl)-1H-indazol-3-yl]carbonyl}amino)methyl]piperidin-1-yl}acetic acid
CID 71714668
[4-({[(5-ethyl-1H-indazol-3-yl)carbonyl]amino}methyl)piperidin-1-yl]acetic acid
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N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(2-methylphenyl)-1H-indazole-3-carboxamide
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N-{[1-(2-methoxyethyl)pipendin-4-yl]methyl}-5-phenyl-1H-indazole-3-carboxamide
CID 89777945
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872342
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CID 46228726

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide?
The IUPAC name of 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide (CID 10217813) is 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide is Cc1[nH]nc2ccc(C(C(=O)N(C)C)N3C(=O)C(C4Cc5ccccc5C4)NC(=O)C3CC(C)C)cc12.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide?
The InChIKey is OGQDMWLCTYUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-16(2)12-24-27(35)30-25(21-13-18-8-6-7-9-19(18)14-21)28(36)34(24)26(29(37)33(4)5)20-10-11-23-22(15-20)17(3)31-32-23/h6-11,15-16,21,24-26H,12-14H2,1-5H3,(H,30,35)(H,31,32).
What are the key properties of 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide?
2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide has a molecular weight of 501.63 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(3-methyl-2H-indazol-5-yl)acetamide is sourced from PubChem (CID 10217813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).