tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid

C25H32N4O6 — CID 159290380

IUPACtert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nccn3c2)n1.CCC(=O)O
InChIInChI=1S/C22H26N4O4.C3H6O2/c1-21(2,3)29-19(27)26(20(28)30-22(4,5)6)18-9-7-8-16(24-18)15-10-11-17-23-12-13-25(17)14-15;1-2-3(4)5/h7-14H,1-6H3;2H2,1H3,(H,4,5)
InChIKeyLAAQFBNTFJQJKJ-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.55
Rot. Bonds3

About tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid

tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid (PubChem CID 159290380) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid.

Molecular Properties

Compound Nametert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid
PubChem CID159290380
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Nametert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nccn3c2)n1.CCC(=O)O
InChIInChI=1S/C22H26N4O4.C3H6O2/c1-21(2,3)29-19(27)26(20(28)30-22(4,5)6)18-9-7-8-16(24-18)15-10-11-17-23-12-13-25(17)14-15;1-2-3(4)5/h7-14H,1-6H3;2H2,1H3,(H,4,5)
InChIKeyLAAQFBNTFJQJKJ-UHFFFAOYSA-N
XLogP5.55
TPSA123.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid?
The IUPAC name of tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid (CID 159290380) is tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid.
What is the SMILES notation for tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid?
The canonical SMILES for tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nccn3c2)n1.CCC(=O)O.
What is the InChIKey of tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid?
The InChIKey is LAAQFBNTFJQJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4.C3H6O2/c1-21(2,3)29-19(27)26(20(28)30-22(4,5)6)18-9-7-8-16(24-18)15-10-11-17-23-12-13-25(17)14-15;1-2-3(4)5/h7-14H,1-6H3;2H2,1H3,(H,4,5).
What are the key properties of tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid?
tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid has a molecular weight of 484.55 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid is sourced from PubChem (CID 159290380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).