N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C17H27N5 — CID 117160610

IUPACN,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCC(C)N1CCC(c2nc3cccnc3n2CCN(C)C)C1
InChIInChI=1S/C17H27N5/c1-13(2)21-9-7-14(12-21)16-19-15-6-5-8-18-17(15)22(16)11-10-20(3)4/h5-6,8,13-14H,7,9-12H2,1-4H3
InChIKeyAZIAGXQGLBQTOJ-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.19
Rot. Bonds5

About N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 117160610) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID117160610
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCC(C)N1CCC(c2nc3cccnc3n2CCN(C)C)C1
InChIInChI=1S/C17H27N5/c1-13(2)21-9-7-14(12-21)16-19-15-6-5-8-18-17(15)22(16)11-10-20(3)4/h5-6,8,13-14H,7,9-12H2,1-4H3
InChIKeyAZIAGXQGLBQTOJ-UHFFFAOYSA-N
XLogP2.19
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117162135
2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117161760
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117160379
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161667

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 117160610) is N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is CC(C)N1CCC(c2nc3cccnc3n2CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is AZIAGXQGLBQTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-13(2)21-9-7-14(12-21)16-19-15-6-5-8-18-17(15)22(16)11-10-20(3)4/h5-6,8,13-14H,7,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 301.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 117160610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).