5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one

C25H25FN6O3 — CID 71559039

IUPAC5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(N(CC2CCC(=O)N2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C25H25FN6O3/c1-31-13-16(12-28-31)15-8-20-19(27-11-15)5-6-23(30-20)32(14-17-4-7-24(33)29-17)21-9-18(34-2)10-22(35-3)25(21)26/h5-6,8-13,17H,4,7,14H2,1-3H3,(H,29,33)
InChIKeyRIDLANJMTSBUSD-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.60
Rot. Bonds7

About 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one

5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one (PubChem CID 71559039) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
PubChem CID71559039
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(N(CC2CCC(=O)N2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C25H25FN6O3/c1-31-13-16(12-28-31)15-8-20-19(27-11-15)5-6-23(30-20)32(14-17-4-7-24(33)29-17)21-9-18(34-2)10-22(35-3)25(21)26/h5-6,8-13,17H,4,7,14H2,1-3H3,(H,29,33)
InChIKeyRIDLANJMTSBUSD-UHFFFAOYSA-N
XLogP3.60
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one (CID 71559039) is 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one is COc1cc(OC)c(F)c(N(CC2CCC(=O)N2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1.
What is the InChIKey of 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one?
The InChIKey is RIDLANJMTSBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-31-13-16(12-28-31)15-8-20-19(27-11-15)5-6-23(30-20)32(14-17-4-7-24(33)29-17)21-9-18(34-2)10-22(35-3)25(21)26/h5-6,8-13,17H,4,7,14H2,1-3H3,(H,29,33).
What are the key properties of 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one?
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one has a molecular weight of 476.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 71559039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).