2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol

C19H17F2N7O2 — CID 134587637

IUPAC2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol
SMILESC[C@H](Nc1nc(-c2cnn3ccccc23)nc(OCCO)c1F)c1ncc(F)cn1
InChIInChI=1S/C19H17F2N7O2/c1-11(16-22-8-12(20)9-23-16)25-18-15(21)19(30-7-6-29)27-17(26-18)13-10-24-28-5-3-2-4-14(13)28/h2-5,8-11,29H,6-7H2,1H3,(H,25,26,27)/t11-/m0/s1
InChIKeyGRHZEIKZXRCYRG-NSHDSACASA-N
MW413.39 g/mol
LogP2.40
Rot. Bonds7

About 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol

2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol (PubChem CID 134587637) has the molecular formula C19H17F2N7O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol
PubChem CID134587637
Molecular FormulaC19H17F2N7O2
Molecular Weight413.39 g/mol
Exact Mass413.14
IUPAC Name2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol
SMILESC[C@H](Nc1nc(-c2cnn3ccccc23)nc(OCCO)c1F)c1ncc(F)cn1
InChIInChI=1S/C19H17F2N7O2/c1-11(16-22-8-12(20)9-23-16)25-18-15(21)19(30-7-6-29)27-17(26-18)13-10-24-28-5-3-2-4-14(13)28/h2-5,8-11,29H,6-7H2,1H3,(H,25,26,27)/t11-/m0/s1
InChIKeyGRHZEIKZXRCYRG-NSHDSACASA-N
XLogP2.40
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol with MolForge

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Related Compounds

US10759793, Example 42
CID 124125653
US10759793, Example 41
CID 124125673
US10759793, Example 15
CID 124125681
US10759793, Example 14
CID 124125716
US10759793, Example 90
CID 124125766
US10759793, Example 45
CID 124125787
US10759793, Example 9
CID 124125825
US10759793, Example 40
CID 124125840
US10759793, Example 39
CID 124125844
US10759793, Example 13
CID 124125846
US10759793, Example 6
CID 124125859
US10759793, Example 16
CID 124125862

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol (CID 134587637) is 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol is C[C@H](Nc1nc(-c2cnn3ccccc23)nc(OCCO)c1F)c1ncc(F)cn1.
What is the InChIKey of 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol?
The InChIKey is GRHZEIKZXRCYRG-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2N7O2/c1-11(16-22-8-12(20)9-23-16)25-18-15(21)19(30-7-6-29)27-17(26-18)13-10-24-28-5-3-2-4-14(13)28/h2-5,8-11,29H,6-7H2,1H3,(H,25,26,27)/t11-/m0/s1.
What are the key properties of 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol?
2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol has a molecular weight of 413.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 134587637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).