N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide

C20H26N4O2 — CID 46948110

IUPACN-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide
SMILESCCCCN(C=O)c1c(CC)nc2c(OCCn3cccc3)cccn12
InChIInChI=1S/C20H26N4O2/c1-3-5-12-23(16-25)20-17(4-2)21-19-18(9-8-13-24(19)20)26-15-14-22-10-6-7-11-22/h6-11,13,16H,3-5,12,14-15H2,1-2H3
InChIKeyIWBJWEDWMHNUGE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.54
Rot. Bonds10

About N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide

N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide (PubChem CID 46948110) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide
PubChem CID46948110
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide
SMILESCCCCN(C=O)c1c(CC)nc2c(OCCn3cccc3)cccn12
InChIInChI=1S/C20H26N4O2/c1-3-5-12-23(16-25)20-17(4-2)21-19-18(9-8-13-24(19)20)26-15-14-22-10-6-7-11-22/h6-11,13,16H,3-5,12,14-15H2,1-2H3
InChIKeyIWBJWEDWMHNUGE-UHFFFAOYSA-N
XLogP3.54
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Sch 28080
CID 108137
6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706867
2-(4-(2-Methoxyphenyl)piperazin-1-ylmethyl)imidazo(1,2-a)pyridine
CID 6469693
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
N-(2-(6-Methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl)acetamide
CID 11702296
8-(Benzyloxy)-2-methylimidazo[1,2-a]pyridin-3-amine
CID 13900258
4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 17759205
6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 25169380
N-(azetidin-3-yl)-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 44449126
6-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 66551179

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide?
The IUPAC name of N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide (CID 46948110) is N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide.
What is the SMILES notation for N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide?
The canonical SMILES for N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide is CCCCN(C=O)c1c(CC)nc2c(OCCn3cccc3)cccn12.
What is the InChIKey of N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide?
The InChIKey is IWBJWEDWMHNUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-5-12-23(16-25)20-17(4-2)21-19-18(9-8-13-24(19)20)26-15-14-22-10-6-7-11-22/h6-11,13,16H,3-5,12,14-15H2,1-2H3.
What are the key properties of N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide?
N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide has a molecular weight of 354.45 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]formamide is sourced from PubChem (CID 46948110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).