propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C19H31N3O2 — CID 45267777

IUPACpropyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCOC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H31N3O2/c1-5-10-24-18(23)21-9-8-16-15(13-21)20-17(11-19(2,3)4)22(16)12-14-6-7-14/h14H,5-13H2,1-4H3
InChIKeyLOOUQLHBVLJNSN-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.79
Rot. Bonds5

About propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 45267777) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID45267777
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namepropyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCOC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H31N3O2/c1-5-10-24-18(23)21-9-8-16-15(13-21)20-17(11-19(2,3)4)22(16)12-14-6-7-14/h14H,5-13H2,1-4H3
InChIKeyLOOUQLHBVLJNSN-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 45267777) is propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is CCCOC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is LOOUQLHBVLJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-10-24-18(23)21-9-8-16-15(13-21)20-17(11-19(2,3)4)22(16)12-14-6-7-14/h14H,5-13H2,1-4H3.
What are the key properties of propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 333.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 45267777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).