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

C24H23F2N5O2 — CID 168978070

IUPAC4-fluoro-6-[6-[(3S)-3-[[1-(fluoromethyl)cyclopropyl]amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CC[C@H](NC6(CF)CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C24H23F2N5O2/c1-13-27-22-19(33-13)10-15(23(32)21(22)26)16-2-3-18-17(28-16)4-5-20(29-18)31-9-6-14(11-31)30-24(12-25)7-8-24/h2-5,10,14,30,32H,6-9,11-12H2,1H3/t14-/m0/s1
InChIKeyKLBWNLQHQCHTJM-AWEZNQCLSA-N
MW451.48 g/mol
LogP4.26
Rot. Bonds5

About 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

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 (PubChem CID 168978070) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-fluoro-6-[6-[(3S)-3-[[1-(fluoromethyl)cyclopropyl]amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
PubChem CID168978070
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name4-fluoro-6-[6-[(3S)-3-[[1-(fluoromethyl)cyclopropyl]amino]pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2c(F)c(O)c(-c3ccc4nc(N5CC[C@H](NC6(CF)CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C24H23F2N5O2/c1-13-27-22-19(33-13)10-15(23(32)21(22)26)16-2-3-18-17(28-16)4-5-20(29-18)31-9-6-14(11-31)30-24(12-25)7-8-24/h2-5,10,14,30,32H,6-9,11-12H2,1H3/t14-/m0/s1
InChIKeyKLBWNLQHQCHTJM-AWEZNQCLSA-N
XLogP4.26
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
6-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol
CID 168977518
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane
CID 162433612
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-[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-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433427
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
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
CID 168977833
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(F)c(O)c(-c3ccc4nc(N5CC[C@H](NC6(CF)CC6)C5)ccc4n3)cc2o1.
What is the InChIKey of 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?
The InChIKey is KLBWNLQHQCHTJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-13-27-22-19(33-13)10-15(23(32)21(22)26)16-2-3-18-17(28-16)4-5-20(29-18)31-9-6-14(11-31)30-24(12-25)7-8-24/h2-5,10,14,30,32H,6-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 451.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168978070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).