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

C26H27FN6O3 — CID 71558731

IUPAC5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(N(CC2CCC(=O)N2C)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C26H27FN6O3/c1-31-14-17(13-29-31)16-9-21-20(28-12-16)6-7-24(30-21)33(15-18-5-8-25(34)32(18)2)22-10-19(35-3)11-23(36-4)26(22)27/h6-7,9-14,18H,5,8,15H2,1-4H3
InChIKeyZEONLOUAYWYGAS-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.95
Rot. Bonds7

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

5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one (PubChem CID 71558731) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 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]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one
PubChem CID71558731
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC Name5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(N(CC2CCC(=O)N2C)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C26H27FN6O3/c1-31-14-17(13-29-31)16-9-21-20(28-12-16)6-7-24(30-21)33(15-18-5-8-25(34)32(18)2)22-10-19(35-3)11-23(36-4)26(22)27/h6-7,9-14,18H,5,8,15H2,1-4H3
InChIKeyZEONLOUAYWYGAS-UHFFFAOYSA-N
XLogP3.95
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
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]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one (CID 71558731) is 5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-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]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one is COc1cc(OC)c(F)c(N(CC2CCC(=O)N2C)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]-1-methylpyrrolidin-2-one?
The InChIKey is ZEONLOUAYWYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-31-14-17(13-29-31)16-9-21-20(28-12-16)6-7-24(30-21)33(15-18-5-8-25(34)32(18)2)22-10-19(35-3)11-23(36-4)26(22)27/h6-7,9-14,18H,5,8,15H2,1-4H3.
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]-1-methylpyrrolidin-2-one?
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 490.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 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]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71558731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).