4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

C26H32FN5O4 — CID 66728591

IUPAC4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCOCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C26H32FN5O4/c1-16(2)29-24(33)18-6-10-20(11-7-18)32-22-14-23(36-13-12-35-3)28-15-21(22)30-26(32)31-25(34)17-4-8-19(27)9-5-17/h4-5,8-9,14-16,18,20H,6-7,10-13H2,1-3H3,(H,29,33)(H,30,31,34)
InChIKeyFLJCXXNTVXFQQQ-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.10
Rot. Bonds9

About 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66728591) has the molecular formula C26H32FN5O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66728591
Molecular FormulaC26H32FN5O4
Molecular Weight497.57 g/mol
Exact Mass497.24
IUPAC Name4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCOCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C26H32FN5O4/c1-16(2)29-24(33)18-6-10-20(11-7-18)32-22-14-23(36-13-12-35-3)28-15-21(22)30-26(32)31-25(34)17-4-8-19(27)9-5-17/h4-5,8-9,14-16,18,20H,6-7,10-13H2,1-3H3,(H,29,33)(H,30,31,34)
InChIKeyFLJCXXNTVXFQQQ-UHFFFAOYSA-N
XLogP4.10
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66728591) is 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is COCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is FLJCXXNTVXFQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O4/c1-16(2)29-24(33)18-6-10-20(11-7-18)32-22-14-23(36-13-12-35-3)28-15-21(22)30-26(32)31-25(34)17-4-8-19(27)9-5-17/h4-5,8-9,14-16,18,20H,6-7,10-13H2,1-3H3,(H,29,33)(H,30,31,34).
What are the key properties of 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 497.57 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 66728591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).