ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate

C19H28N4O4 — CID 69229632

IUPACethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ncn(CCC(C)(C)NC(=O)OC(C)(C)C)c2cn1
InChIInChI=1S/C19H28N4O4/c1-7-26-16(24)14-10-13-15(11-20-14)23(12-21-13)9-8-19(5,6)22-17(25)27-18(2,3)4/h10-12H,7-9H2,1-6H3,(H,22,25)
InChIKeyIXGGCMGHKPAWKB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.30
Rot. Bonds6

About ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate

ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 69229632) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID69229632
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nameethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ncn(CCC(C)(C)NC(=O)OC(C)(C)C)c2cn1
InChIInChI=1S/C19H28N4O4/c1-7-26-16(24)14-10-13-15(11-20-14)23(12-21-13)9-8-19(5,6)22-17(25)27-18(2,3)4/h10-12H,7-9H2,1-6H3,(H,22,25)
InChIKeyIXGGCMGHKPAWKB-UHFFFAOYSA-N
XLogP3.30
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate (CID 69229632) is ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate is CCOC(=O)c1cc2ncn(CCC(C)(C)NC(=O)OC(C)(C)C)c2cn1.
What is the InChIKey of ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is IXGGCMGHKPAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-7-26-16(24)14-10-13-15(11-20-14)23(12-21-13)9-8-19(5,6)22-17(25)27-18(2,3)4/h10-12H,7-9H2,1-6H3,(H,22,25).
What are the key properties of ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate?
ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 69229632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).