2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine

C18H21N5 — CID 117160379

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(c2nc3cccnc3n2-c2cccnc2)C1
InChIInChI=1S/C18H21N5/c1-13(2)22-10-7-14(12-22)17-21-16-6-4-9-20-18(16)23(17)15-5-3-8-19-11-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3
InChIKeyCAHOTNOJVZBWHU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.01
Rot. Bonds3

About 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine

2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117160379) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
PubChem CID117160379
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(c2nc3cccnc3n2-c2cccnc2)C1
InChIInChI=1S/C18H21N5/c1-13(2)22-10-7-14(12-22)17-21-16-6-4-9-20-18(16)23(17)15-5-3-8-19-11-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3
InChIKeyCAHOTNOJVZBWHU-UHFFFAOYSA-N
XLogP3.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117160610
2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117161760
3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162481
N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117162135
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
CID 95821868
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 117160854

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine (CID 117160379) is 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine is CC(C)N1CCC(c2nc3cccnc3n2-c2cccnc2)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is CAHOTNOJVZBWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13(2)22-10-7-14(12-22)17-21-16-6-4-9-20-18(16)23(17)15-5-3-8-19-11-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine?
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).