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

C18H27N5 — CID 117162442

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCC(Cn2c(C3CCCN3)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-2-22-11-5-6-14(12-22)13-23-17-16(8-4-10-20-17)21-18(23)15-7-3-9-19-15/h4,8,10,14-15,19H,2-3,5-7,9,11-13H2,1H3
InChIKeyDQYVPGFIEVCELA-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.59
Rot. Bonds4

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

3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117162442) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117162442
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCC(Cn2c(C3CCCN3)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-2-22-11-5-6-14(12-22)13-23-17-16(8-4-10-20-17)21-18(23)15-7-3-9-19-15/h4,8,10,14-15,19H,2-3,5-7,9,11-13H2,1H3
InChIKeyDQYVPGFIEVCELA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
4-[2-(2-pyrrolidin-2-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117162702
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289670
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162925
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine (CID 117162442) is 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine is CCN1CCCC(Cn2c(C3CCCN3)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is DQYVPGFIEVCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-2-22-11-5-6-14(12-22)13-23-17-16(8-4-10-20-17)21-18(23)15-7-3-9-19-15/h4,8,10,14-15,19H,2-3,5-7,9,11-13H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117162442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).