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

C23H22N4O3 — CID 87050846

IUPAC[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)ccc1C
InChIInChI=1S/C23H22N4O3/c1-15-5-6-16(12-20(15)29-2)23(28)26-10-7-18(13-26)27-21(17-8-11-30-14-17)25-19-4-3-9-24-22(19)27/h3-6,8-9,11-12,14,18H,7,10,13H2,1-2H3
InChIKeyMSOSJLPRSFIHGH-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.10
Rot. Bonds4

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

[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 87050846) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID87050846
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)ccc1C
InChIInChI=1S/C23H22N4O3/c1-15-5-6-16(12-20(15)29-2)23(28)26-10-7-18(13-26)27-21(17-8-11-30-14-17)25-19-4-3-9-24-22(19)27/h3-6,8-9,11-12,14,18H,7,10,13H2,1-2H3
InChIKeyMSOSJLPRSFIHGH-UHFFFAOYSA-N
XLogP4.10
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 87050846) is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)ccc1C.
What is the InChIKey of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is MSOSJLPRSFIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-5-6-16(12-20(15)29-2)23(28)26-10-7-18(13-26)27-21(17-8-11-30-14-17)25-19-4-3-9-24-22(19)27/h3-6,8-9,11-12,14,18H,7,10,13H2,1-2H3.
What are the key properties of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 402.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 87050846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).