N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide

C26H32N4O2 — CID 78150169

IUPACN-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide
SMILESCC1=CC(CNC(=O)COc2ccccc2)C(C(C)C)CC1Cc1nc2ncccc2[nH]1
InChIInChI=1S/C26H32N4O2/c1-17(2)22-13-19(14-24-29-23-10-7-11-27-26(23)30-24)18(3)12-20(22)15-28-25(31)16-32-21-8-5-4-6-9-21/h4-12,17,19-20,22H,13-16H2,1-3H3,(H,28,31)(H,27,29,30)
InChIKeyZQLCIZMNXQOAJO-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.55
Rot. Bonds8

About N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide

N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide (PubChem CID 78150169) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide
PubChem CID78150169
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide
SMILESCC1=CC(CNC(=O)COc2ccccc2)C(C(C)C)CC1Cc1nc2ncccc2[nH]1
InChIInChI=1S/C26H32N4O2/c1-17(2)22-13-19(14-24-29-23-10-7-11-27-26(23)30-24)18(3)12-20(22)15-28-25(31)16-32-21-8-5-4-6-9-21/h4-12,17,19-20,22H,13-16H2,1-3H3,(H,28,31)(H,27,29,30)
InChIKeyZQLCIZMNXQOAJO-UHFFFAOYSA-N
XLogP4.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
CID 78150061
4-[[(1S,4S,6S)-4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
CID 71693105
N-[[(1S,4S,6S)-4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
CID 71693052
N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide
CID 78150128
1-[[(1S,4S,6S)-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3-propylurea
CID 71693086
5-[[(1S,4S,6S)-4-[(6-methoxycarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-5-oxopentanoic acid
CID 71693206
methyl 2-[[(1S,4S,5S)-2-methyl-4-[(2-methylpropanoylamino)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate
CID 71693168
4-[[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
CID 78150158
methyl 2-[[4-[[[2-(dimethylamino)acetyl]amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate
CID 78150227
N-[[4-(1H-benzimidazol-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanesulfonamide
CID 78150037
methyl 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyrazine-2-carbonylamino)methyl]cyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate
CID 71693171
4-fluoro-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 162836548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide (CID 78150169) is N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide is CC1=CC(CNC(=O)COc2ccccc2)C(C(C)C)CC1Cc1nc2ncccc2[nH]1.
What is the InChIKey of N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide?
The InChIKey is ZQLCIZMNXQOAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17(2)22-13-19(14-24-29-23-10-7-11-27-26(23)30-24)18(3)12-20(22)15-28-25(31)16-32-21-8-5-4-6-9-21/h4-12,17,19-20,22H,13-16H2,1-3H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide?
N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide has a molecular weight of 432.57 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 78150169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).