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

C22H19FN4O2 — CID 87050865

IUPAC(3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H19FN4O2/c1-14-6-7-15(12-17(14)23)22(28)26-10-8-16(13-26)27-20-18(4-2-9-24-20)25-21(27)19-5-3-11-29-19/h2-7,9,11-12,16H,8,10,13H2,1H3
InChIKeyKYWHHRKYQWMYRJ-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.23
Rot. Bonds3

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

(3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050865) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050865
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H19FN4O2/c1-14-6-7-15(12-17(14)23)22(28)26-10-8-16(13-26)27-20-18(4-2-9-24-20)25-21(27)19-5-3-11-29-19/h2-7,9,11-12,16H,8,10,13H2,1H3
InChIKeyKYWHHRKYQWMYRJ-UHFFFAOYSA-N
XLogP4.23
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050865) is (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KYWHHRKYQWMYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-6-7-15(12-17(14)23)22(28)26-10-8-16(13-26)27-20-18(4-2-9-24-20)25-21(27)19-5-3-11-29-19/h2-7,9,11-12,16H,8,10,13H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 390.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).