2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline

C17H20N4 — CID 98023074

IUPAC2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCc2ccccc2N)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-12(2)21-16(20-15-8-5-11-19-17(15)21)10-9-13-6-3-4-7-14(13)18/h3-8,11-12H,9-10,18H2,1-2H3
InChIKeyBQFSVXIKEWWGTE-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.38
Rot. Bonds4

About 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline

2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline (PubChem CID 98023074) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
PubChem CID98023074
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCc2ccccc2N)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-12(2)21-16(20-15-8-5-11-19-17(15)21)10-9-13-6-3-4-7-14(13)18/h3-8,11-12H,9-10,18H2,1-2H3
InChIKeyBQFSVXIKEWWGTE-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pentan-2-amine
CID 82846873
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
CID 81073284
1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol
CID 66002160
N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021024
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
CID 53143768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline (CID 98023074) is 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline is CC(C)n1c(CCc2ccccc2N)nc2cccnc21.
What is the InChIKey of 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The InChIKey is BQFSVXIKEWWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)21-16(20-15-8-5-11-19-17(15)21)10-9-13-6-3-4-7-14(13)18/h3-8,11-12H,9-10,18H2,1-2H3.
What are the key properties of 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline has a molecular weight of 280.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 98023074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).