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

C18H27N5 — CID 117162235

IUPAC3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1c1nc2cccnc2n1C1CCNCC1
InChIInChI=1S/C18H27N5/c1-13(2)22-12-4-6-16(22)18-21-15-5-3-9-20-17(15)23(18)14-7-10-19-11-8-14/h3,5,9,13-14,16,19H,4,6-8,10-12H2,1-2H3
InChIKeyITZXSEVSTIAQAS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.90
Rot. Bonds3

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

3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162235) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162235
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1c1nc2cccnc2n1C1CCNCC1
InChIInChI=1S/C18H27N5/c1-13(2)22-12-4-6-16(22)18-21-15-5-3-9-20-17(15)23(18)14-7-10-19-11-8-14/h3,5,9,13-14,16,19H,4,6-8,10-12H2,1-2H3
InChIKeyITZXSEVSTIAQAS-UHFFFAOYSA-N
XLogP2.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163101
3-methyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163034
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162235) is 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CC(C)N1CCCC1c1nc2cccnc2n1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ITZXSEVSTIAQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)22-12-4-6-16(22)18-21-15-5-3-9-20-17(15)23(18)14-7-10-19-11-8-14/h3,5,9,13-14,16,19H,4,6-8,10-12H2,1-2H3.
What are the key properties of 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).