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

C18H27N5 — CID 117160291

IUPAC3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1Cn1c(C2CCNC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-13(2)22-10-4-5-15(22)12-23-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)23/h3,6,8,13-15,19H,4-5,7,9-12H2,1-2H3
InChIKeyGCABHANEXKUGBS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.38
Rot. Bonds4

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

3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117160291) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117160291
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1Cn1c(C2CCNC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-13(2)22-10-4-5-15(22)12-23-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)23/h3,6,8,13-15,19H,4-5,7,9-12H2,1-2H3
InChIKeyGCABHANEXKUGBS-UHFFFAOYSA-N
XLogP2.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117165786
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166431
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160416
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162235
2-pyrrolidin-3-yl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117160618
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (CID 117160291) is 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is CC(C)N1CCCC1Cn1c(C2CCNC2)nc2cccnc21.
What is the InChIKey of 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is GCABHANEXKUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)22-10-4-5-15(22)12-23-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)23/h3,6,8,13-15,19H,4-5,7,9-12H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).