7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one

C25H22FN3O4 — CID 148525274

IUPAC7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one
SMILESCc1nccc(-c2ccccn2)c1OCC1CN(C(=O)c2cc3c(cc2F)OCC(=O)C3)C1
InChIInChI=1S/C25H22FN3O4/c1-15-24(19(5-7-27-15)22-4-2-3-6-28-22)33-13-16-11-29(12-16)25(31)20-9-17-8-18(30)14-32-23(17)10-21(20)26/h2-7,9-10,16H,8,11-14H2,1H3
InChIKeyMPFBTMAFBBVQRK-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.25
Rot. Bonds5

About 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one

7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 148525274) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one
PubChem CID148525274
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one
SMILESCc1nccc(-c2ccccn2)c1OCC1CN(C(=O)c2cc3c(cc2F)OCC(=O)C3)C1
InChIInChI=1S/C25H22FN3O4/c1-15-24(19(5-7-27-15)22-4-2-3-6-28-22)33-13-16-11-29(12-16)25(31)20-9-17-8-18(30)14-32-23(17)10-21(20)26/h2-7,9-10,16H,8,11-14H2,1H3
InChIKeyMPFBTMAFBBVQRK-UHFFFAOYSA-N
XLogP3.25
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one (CID 148525274) is 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one is Cc1nccc(-c2ccccn2)c1OCC1CN(C(=O)c2cc3c(cc2F)OCC(=O)C3)C1.
What is the InChIKey of 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is MPFBTMAFBBVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-15-24(19(5-7-27-15)22-4-2-3-6-28-22)33-13-16-11-29(12-16)25(31)20-9-17-8-18(30)14-32-23(17)10-21(20)26/h2-7,9-10,16H,8,11-14H2,1H3.
What are the key properties of 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one?
7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 447.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 148525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).