1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one

C30H41N7O — CID 68957531

IUPAC1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one
SMILESO=C(c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)nc1)C(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C30H41N7O/c38-29(24(18-27-31-11-12-32-27)19-28-33-13-14-34-28)23-6-7-25(35-20-23)21-36-15-8-30(22-36)9-16-37(17-10-30)26-4-2-1-3-5-26/h6-7,11-14,20,24,26H,1-5,8-10,15-19,21-22H2,(H,31,32)(H,33,34)
InChIKeyVHEQAQYJYXKJEC-UHFFFAOYSA-N
MW515.71 g/mol
LogP4.43
Rot. Bonds9

About 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one

1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one (PubChem CID 68957531) has the molecular formula C30H41N7O and a molecular weight of 515.71 g/mol. Its IUPAC name is 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one.

Molecular Properties

Compound Name1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one
PubChem CID68957531
Molecular FormulaC30H41N7O
Molecular Weight515.71 g/mol
Exact Mass515.34
IUPAC Name1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one
SMILESO=C(c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)nc1)C(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C30H41N7O/c38-29(24(18-27-31-11-12-32-27)19-28-33-13-14-34-28)23-6-7-25(35-20-23)21-36-15-8-30(22-36)9-16-37(17-10-30)26-4-2-1-3-5-26/h6-7,11-14,20,24,26H,1-5,8-10,15-19,21-22H2,(H,31,32)(H,33,34)
InChIKeyVHEQAQYJYXKJEC-UHFFFAOYSA-N
XLogP4.43
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.71
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one?
The IUPAC name of 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one (CID 68957531) is 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one.
What is the SMILES notation for 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one?
The canonical SMILES for 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one is O=C(c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)nc1)C(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one?
The InChIKey is VHEQAQYJYXKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O/c38-29(24(18-27-31-11-12-32-27)19-28-33-13-14-34-28)23-6-7-25(35-20-23)21-36-15-8-30(22-36)9-16-37(17-10-30)26-4-2-1-3-5-26/h6-7,11-14,20,24,26H,1-5,8-10,15-19,21-22H2,(H,31,32)(H,33,34).
What are the key properties of 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one?
1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one has a molecular weight of 515.71 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-3-pyridinyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)propan-1-one is sourced from PubChem (CID 68957531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).