2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C26H19F4N7O2 — CID 126503364

IUPAC2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C26H19F4N7O2/c27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30/h1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38)
InChIKeyRNYLGNSNFDABTF-UHFFFAOYSA-N
MW537.48 g/mol
LogP5.44
Rot. Bonds7

About 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126503364) has the molecular formula C26H19F4N7O2 and a molecular weight of 537.48 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID126503364
Molecular FormulaC26H19F4N7O2
Molecular Weight537.48 g/mol
Exact Mass537.15
IUPAC Name2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C26H19F4N7O2/c27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30/h1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38)
InChIKeyRNYLGNSNFDABTF-UHFFFAOYSA-N
XLogP5.44
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.48
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Related Compounds

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CID 1094029
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CID 102004343
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CID 68035678
CID 68035678
CID 68035721
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CID 117926509
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CID 117926814
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CID 117926850

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126503364) is 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is O=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is RNYLGNSNFDABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N7O2/c27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30/h1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38).
What are the key properties of 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 537.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126503364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).