methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate

C20H22N4O4 — CID 59273999

IUPACmethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)nc3)cn2c1
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)23(4)16-8-6-13(10-21-16)15-12-24-11-14(18(25)27-5)7-9-17(24)22-15/h6-12H,1-5H3
InChIKeyXGLWLFWDWHZNDC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.55
Rot. Bonds3

About methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 59273999) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID59273999
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)nc3)cn2c1
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)23(4)16-8-6-13(10-21-16)15-12-24-11-14(18(25)27-5)7-9-17(24)22-15/h6-12H,1-5H3
InChIKeyXGLWLFWDWHZNDC-UHFFFAOYSA-N
XLogP3.55
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 59273999) is methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)nc3)cn2c1.
What is the InChIKey of methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XGLWLFWDWHZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)23(4)16-8-6-13(10-21-16)15-12-24-11-14(18(25)27-5)7-9-17(24)22-15/h6-12H,1-5H3.
What are the key properties of methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 59273999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).