methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C18H20FN3O3 — CID 26761663

IUPACmethyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCCn1cnc2c1CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2
InChIInChI=1S/C18H20FN3O3/c1-3-8-21-11-20-14-9-15(18(24)25-2)22(10-16(14)21)17(23)12-4-6-13(19)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyUDIGMVMDCVXNAI-HNNXBMFYSA-N
MW345.37 g/mol
LogP2.17
Rot. Bonds4

About methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26761663) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID26761663
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Namemethyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCCn1cnc2c1CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2
InChIInChI=1S/C18H20FN3O3/c1-3-8-21-11-20-14-9-15(18(24)25-2)22(10-16(14)21)17(23)12-4-6-13(19)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyUDIGMVMDCVXNAI-HNNXBMFYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26761663) is methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is CCCn1cnc2c1CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2.
What is the InChIKey of methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is UDIGMVMDCVXNAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-8-21-11-20-14-9-15(18(24)25-2)22(10-16(14)21)17(23)12-4-6-13(19)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26761663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).