3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol

C23H23F2N5O3 — CID 71558887

IUPAC3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol
SMILESCOc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C23H23F2N5O3/c1-29-13-15(12-27-29)14-9-17-16(26-11-14)5-6-20(28-17)30(7-4-8-31)23-21(24)18(32-2)10-19(33-3)22(23)25/h5-6,9-13,31H,4,7-8H2,1-3H3
InChIKeyYRIBONQFXXVSAU-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.85
Rot. Bonds8

About 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol

3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol (PubChem CID 71558887) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol
PubChem CID71558887
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol
SMILESCOc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C23H23F2N5O3/c1-29-13-15(12-27-29)14-9-17-16(26-11-14)5-6-20(28-17)30(7-4-8-31)23-21(24)18(32-2)10-19(33-3)22(23)25/h5-6,9-13,31H,4,7-8H2,1-3H3
InChIKeyYRIBONQFXXVSAU-UHFFFAOYSA-N
XLogP3.85
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol (CID 71558887) is 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol is COc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol?
The InChIKey is YRIBONQFXXVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-29-13-15(12-27-29)14-9-17-16(26-11-14)5-6-20(28-17)30(7-4-8-31)23-21(24)18(32-2)10-19(33-3)22(23)25/h5-6,9-13,31H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol?
3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol has a molecular weight of 455.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol is sourced from PubChem (CID 71558887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).