4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol

C24H24FN5O2 — CID 168977590

IUPAC4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CCC(NC6(C)CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C24H24FN5O2/c1-13-26-22-19(32-13)11-15(23(31)21(22)25)16-3-4-18-17(27-16)5-6-20(28-18)30-10-7-14(12-30)29-24(2)8-9-24/h3-6,11,14,29,31H,7-10,12H2,1-2H3
InChIKeyOFZZXUBGYLSNNI-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.31
Rot. Bonds4

About 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol

4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol (PubChem CID 168977590) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol
PubChem CID168977590
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CCC(NC6(C)CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C24H24FN5O2/c1-13-26-22-19(32-13)11-15(23(31)21(22)25)16-3-4-18-17(27-16)5-6-20(28-18)30-10-7-14(12-30)29-24(2)8-9-24/h3-6,11,14,29,31H,7-10,12H2,1-2H3
InChIKeyOFZZXUBGYLSNNI-UHFFFAOYSA-N
XLogP4.31
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-6-[6-[(3S)-3-[[1-(fluoromethyl)cyclopropyl]amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 168978070
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane
CID 162433612
6-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol
CID 168977518
sodium;4-fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol;propane
CID 168977119
6-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433427
6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433586
6-[6-[(3S)-3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433802
6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433516
6-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,7-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol
CID 168978058
[cyclobutyl-[1-[6-(5-hydroxy-2,4-dimethyl-1,3-benzoxazol-6-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]boranyl]formonitrile
CID 168977180
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 168977496

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol?
The IUPAC name of 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol (CID 168977590) is 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol.
What is the SMILES notation for 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol?
The canonical SMILES for 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol is Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CCC(NC6(C)CC6)C5)ccc4n3)cc2o1.
What is the InChIKey of 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol?
The InChIKey is OFZZXUBGYLSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-13-26-22-19(32-13)11-15(23(31)21(22)25)16-3-4-18-17(27-16)5-6-20(28-18)30-10-7-14(12-30)29-24(2)8-9-24/h3-6,11,14,29,31H,7-10,12H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol?
4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol has a molecular weight of 433.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-[6-[3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-5-ol is sourced from PubChem (CID 168977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).