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

C18H26N4O — CID 117163296

IUPAC3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1Cc1nc2cccnc2n1C1CCCO1
InChIInChI=1S/C18H26N4O/c1-13(2)21-10-4-6-14(21)12-16-20-15-7-3-9-19-18(15)22(16)17-8-5-11-23-17/h3,7,9,13-14,17H,4-6,8,10-12H2,1-2H3
InChIKeyIDDNVCIAUXSEQN-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds4

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

3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117163296) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117163296
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1Cc1nc2cccnc2n1C1CCCO1
InChIInChI=1S/C18H26N4O/c1-13(2)21-10-4-6-14(21)12-16-20-15-7-3-9-19-18(15)22(16)17-8-5-11-23-17/h3,7,9,13-14,17H,4-6,8,10-12H2,1-2H3
InChIKeyIDDNVCIAUXSEQN-UHFFFAOYSA-N
XLogP3.16
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117165786
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
2-(1-methylpiperidin-2-yl)-3-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162863
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117163296) is 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is CC(C)N1CCCC1Cc1nc2cccnc2n1C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is IDDNVCIAUXSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)21-10-4-6-14(21)12-16-20-15-7-3-9-19-18(15)22(16)17-8-5-11-23-17/h3,7,9,13-14,17H,4-6,8,10-12H2,1-2H3.
What are the key properties of 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 314.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).