[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone

C22H26N4O2 — CID 83278124

IUPAC[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCOCCn1c(CC2CCN(C(=O)c3ccccc3C)C2)nc2cccnc21
InChIInChI=1S/C22H26N4O2/c1-16-6-3-4-7-18(16)22(27)25-11-9-17(15-25)14-20-24-19-8-5-10-23-21(19)26(20)12-13-28-2/h3-8,10,17H,9,11-15H2,1-2H3
InChIKeyVVWAOGILAPTUOQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.09
Rot. Bonds6

About [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone

[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 83278124) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
PubChem CID83278124
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCOCCn1c(CC2CCN(C(=O)c3ccccc3C)C2)nc2cccnc21
InChIInChI=1S/C22H26N4O2/c1-16-6-3-4-7-18(16)22(27)25-11-9-17(15-25)14-20-24-19-8-5-10-23-21(19)26(20)12-13-28-2/h3-8,10,17H,9,11-15H2,1-2H3
InChIKeyVVWAOGILAPTUOQ-UHFFFAOYSA-N
XLogP3.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone (CID 83278124) is [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone is COCCn1c(CC2CCN(C(=O)c3ccccc3C)C2)nc2cccnc21.
What is the InChIKey of [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is VVWAOGILAPTUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-6-3-4-7-18(16)22(27)25-11-9-17(15-25)14-20-24-19-8-5-10-23-21(19)26(20)12-13-28-2/h3-8,10,17H,9,11-15H2,1-2H3.
What are the key properties of [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 83278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).