N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide

C37H47N5O4 — CID 66700654

IUPACN-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CCN(C(=O)c6cc(C)nn6C(C)(C)C)CC5)C4)cc32)c(C)c1
InChIInChI=1S/C37H47N5O4/c1-23-18-28(46-7)19-24(2)32(23)33(43)38-30-11-10-26-8-9-27(21-29(26)30)34(44)41-17-14-37(22-41)12-15-40(16-13-37)35(45)31-20-25(3)39-42(31)36(4,5)6/h8-9,18-21,30H,10-17,22H2,1-7H3,(H,38,43)
InChIKeyIPFSGRQWGMIYQW-UHFFFAOYSA-N
MW625.81 g/mol
LogP5.76
Rot. Bonds5

About N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide

N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide (PubChem CID 66700654) has the molecular formula C37H47N5O4 and a molecular weight of 625.81 g/mol. Its IUPAC name is N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide
PubChem CID66700654
Molecular FormulaC37H47N5O4
Molecular Weight625.81 g/mol
Exact Mass625.36
IUPAC NameN-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CCN(C(=O)c6cc(C)nn6C(C)(C)C)CC5)C4)cc32)c(C)c1
InChIInChI=1S/C37H47N5O4/c1-23-18-28(46-7)19-24(2)32(23)33(43)38-30-11-10-26-8-9-27(21-29(26)30)34(44)41-17-14-37(22-41)12-15-40(16-13-37)35(45)31-20-25(3)39-42(31)36(4,5)6/h8-9,18-21,30H,10-17,22H2,1-7H3,(H,38,43)
InChIKeyIPFSGRQWGMIYQW-UHFFFAOYSA-N
XLogP5.76
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.81
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide?
The IUPAC name of N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide (CID 66700654) is N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide.
What is the SMILES notation for N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide?
The canonical SMILES for N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide is COc1cc(C)c(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CCN(C(=O)c6cc(C)nn6C(C)(C)C)CC5)C4)cc32)c(C)c1.
What is the InChIKey of N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide?
The InChIKey is IPFSGRQWGMIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N5O4/c1-23-18-28(46-7)19-24(2)32(23)33(43)38-30-11-10-26-8-9-27(21-29(26)30)34(44)41-17-14-37(22-41)12-15-40(16-13-37)35(45)31-20-25(3)39-42(31)36(4,5)6/h8-9,18-21,30H,10-17,22H2,1-7H3,(H,38,43).
What are the key properties of N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide?
N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide has a molecular weight of 625.81 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[8-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxy-2,6-dimethylbenzamide is sourced from PubChem (CID 66700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).