tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid

C23H26N4O4 — CID 130475704

IUPACtert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
SMILESCNc1c(-c2cc3cc(OC)ccc3o2)nc2cc(CN(C(=O)O)C(C)(C)C)ccn12
InChIInChI=1S/C23H26N4O4/c1-23(2,3)27(22(28)29)13-14-8-9-26-19(10-14)25-20(21(26)24-4)18-12-15-11-16(30-5)6-7-17(15)31-18/h6-12,24H,13H2,1-5H3,(H,28,29)
InChIKeyFQSKPZXFDFALEU-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.08
Rot. Bonds5

About tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid

tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid (PubChem CID 130475704) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
PubChem CID130475704
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nametert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
SMILESCNc1c(-c2cc3cc(OC)ccc3o2)nc2cc(CN(C(=O)O)C(C)(C)C)ccn12
InChIInChI=1S/C23H26N4O4/c1-23(2,3)27(22(28)29)13-14-8-9-26-19(10-14)25-20(21(26)24-4)18-12-15-11-16(30-5)6-7-17(15)31-18/h6-12,24H,13H2,1-5H3,(H,28,29)
InChIKeyFQSKPZXFDFALEU-UHFFFAOYSA-N
XLogP5.08
TPSA92.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 131975057
2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 170451678
3-[[benzyl(methyl)amino]methyl]-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile;2-(5-methoxy-1-benzofuran-2-yl)-3-(methoxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 158215393
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide
CID 118902978
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
N-benzyl-N-tert-butyl-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1172946
[4-(bromomethyl)-6-methyl-2-pyridinyl] N-tert-butyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 175071081
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65428621
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid (CID 130475704) is tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid is CNc1c(-c2cc3cc(OC)ccc3o2)nc2cc(CN(C(=O)O)C(C)(C)C)ccn12.
What is the InChIKey of tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid?
The InChIKey is FQSKPZXFDFALEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2,3)27(22(28)29)13-14-8-9-26-19(10-14)25-20(21(26)24-4)18-12-15-11-16(30-5)6-7-17(15)31-18/h6-12,24H,13H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid?
tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid has a molecular weight of 422.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid is sourced from PubChem (CID 130475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).