7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C23H30N4O2S — CID 131680903

IUPAC7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)n1cnc(C2CN(C(=O)c3cccs3)CC23CCCN(CC2CC2)C3=O)c1
InChIInChI=1S/C23H30N4O2S/c1-16(2)27-13-19(24-15-27)18-12-26(21(28)20-5-3-10-30-20)14-23(18)8-4-9-25(22(23)29)11-17-6-7-17/h3,5,10,13,15-18H,4,6-9,11-12,14H2,1-2H3
InChIKeyWDNNSCQNRPCLLH-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.78
Rot. Bonds5

About 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 131680903) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID131680903
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)n1cnc(C2CN(C(=O)c3cccs3)CC23CCCN(CC2CC2)C3=O)c1
InChIInChI=1S/C23H30N4O2S/c1-16(2)27-13-19(24-15-27)18-12-26(21(28)20-5-3-10-30-20)14-23(18)8-4-9-25(22(23)29)11-17-6-7-17/h3,5,10,13,15-18H,4,6-9,11-12,14H2,1-2H3
InChIKeyWDNNSCQNRPCLLH-UHFFFAOYSA-N
XLogP3.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-[(E)-3-thiophen-2-ylprop-2-enoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131681654
2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
CID 134074079
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
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
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 72908088
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
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 131680903) is 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)n1cnc(C2CN(C(=O)c3cccs3)CC23CCCN(CC2CC2)C3=O)c1.
What is the InChIKey of 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WDNNSCQNRPCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-16(2)27-13-19(24-15-27)18-12-26(21(28)20-5-3-10-30-20)14-23(18)8-4-9-25(22(23)29)11-17-6-7-17/h3,5,10,13,15-18H,4,6-9,11-12,14H2,1-2H3.
What are the key properties of 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 426.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 131680903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).