(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C24H32N6O3S — CID 70839215

IUPAC(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)CCN1CCC(c2ccc(NC(=O)C3=NC[C@@H](C#N)N3)c(C3=CCCCC3)n2)CC1
InChIInChI=1S/C24H32N6O3S/c1-34(32,33)14-13-30-11-9-17(10-12-30)20-7-8-21(22(28-20)18-5-3-2-4-6-18)29-24(31)23-26-16-19(15-25)27-23/h5,7-8,17,19H,2-4,6,9-14,16H2,1H3,(H,26,27)(H,29,31)/t19-/m1/s1
InChIKeyGAMFBPXKXZHBAV-LJQANCHMSA-N
MW484.63 g/mol
LogP2.10
Rot. Bonds7

About (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 70839215) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID70839215
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)CCN1CCC(c2ccc(NC(=O)C3=NC[C@@H](C#N)N3)c(C3=CCCCC3)n2)CC1
InChIInChI=1S/C24H32N6O3S/c1-34(32,33)14-13-30-11-9-17(10-12-30)20-7-8-21(22(28-20)18-5-3-2-4-6-18)29-24(31)23-26-16-19(15-25)27-23/h5,7-8,17,19H,2-4,6,9-14,16H2,1H3,(H,26,27)(H,29,31)/t19-/m1/s1
InChIKeyGAMFBPXKXZHBAV-LJQANCHMSA-N
XLogP2.10
TPSA127.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 70839215) is (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CS(=O)(=O)CCN1CCC(c2ccc(NC(=O)C3=NC[C@@H](C#N)N3)c(C3=CCCCC3)n2)CC1.
What is the InChIKey of (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is GAMFBPXKXZHBAV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-34(32,33)14-13-30-11-9-17(10-12-30)20-7-8-21(22(28-20)18-5-3-2-4-6-18)29-24(31)23-26-16-19(15-25)27-23/h5,7-8,17,19H,2-4,6,9-14,16H2,1H3,(H,26,27)(H,29,31)/t19-/m1/s1.
What are the key properties of (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
(5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 70839215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).