3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

C24H22F3N5O — CID 118400043

IUPAC3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCN(C)CCCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C24H22F3N5O/c1-31(2)9-4-10-32-20-12-22(30-21-8-7-16(25)14-29-21)28-13-15(20)11-17(24(32)33)23-18(26)5-3-6-19(23)27/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,29,30)
InChIKeyQARUAIFJONTJEV-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.57
Rot. Bonds7

About 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 118400043) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID118400043
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCN(C)CCCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C24H22F3N5O/c1-31(2)9-4-10-32-20-12-22(30-21-8-7-16(25)14-29-21)28-13-15(20)11-17(24(32)33)23-18(26)5-3-6-19(23)27/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,29,30)
InChIKeyQARUAIFJONTJEV-UHFFFAOYSA-N
XLogP4.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 118400043) is 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is CN(C)CCCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is QARUAIFJONTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-31(2)9-4-10-32-20-12-22(30-21-8-7-16(25)14-29-21)28-13-15(20)11-17(24(32)33)23-18(26)5-3-6-19(23)27/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,29,30).
What are the key properties of 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 453.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-[3-(dimethylamino)propyl]-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).