2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C24H36N6O — CID 131672353

IUPAC2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1cnc(C2CN(Cc3cnn(C(C)C)c3)CC23CCN(CC2CC2)C3=O)c1
InChIInChI=1S/C24H36N6O/c1-17(2)29-14-22(25-16-29)21-13-27(10-20-9-26-30(12-20)18(3)4)15-24(21)7-8-28(23(24)31)11-19-5-6-19/h9,12,14,16-19,21H,5-8,10-11,13,15H2,1-4H3
InChIKeyQGVMCKNBZDVLLY-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.47
Rot. Bonds7

About 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672353) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131672353
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1cnc(C2CN(Cc3cnn(C(C)C)c3)CC23CCN(CC2CC2)C3=O)c1
InChIInChI=1S/C24H36N6O/c1-17(2)29-14-22(25-16-29)21-13-27(10-20-9-26-30(12-20)18(3)4)15-24(21)7-8-28(23(24)31)11-19-5-6-19/h9,12,14,16-19,21H,5-8,10-11,13,15H2,1-4H3
InChIKeyQGVMCKNBZDVLLY-UHFFFAOYSA-N
XLogP3.47
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672355
7-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669859
7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672362
7-[(3-chlorophenyl)methyl]-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155850803
9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672381
9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669867
7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669861
7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 131680903
2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847
7-(furan-3-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155836626
2-(2-methoxyethyl)-7-[(6-methyl-2-pyridinyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 155860990
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131672370

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 131672353) is 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1cnc(C2CN(Cc3cnn(C(C)C)c3)CC23CCN(CC2CC2)C3=O)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is QGVMCKNBZDVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-17(2)29-14-22(25-16-29)21-13-27(10-20-9-26-30(12-20)18(3)4)15-24(21)7-8-28(23(24)31)11-19-5-6-19/h9,12,14,16-19,21H,5-8,10-11,13,15H2,1-4H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 424.59 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).