3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide

C24H26FN7O2 — CID 11568874

IUPAC3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(Nc3ncc(F)c(Nc4ccc(OC(C)C)cc4)n3)ccc21
InChIInChI=1S/C24H26FN7O2/c1-15(2)34-19-7-4-17(5-8-19)29-23-20(25)14-27-24(31-23)30-18-6-9-21-16(12-18)13-28-32(21)11-10-22(33)26-3/h4-9,12-15H,10-11H2,1-3H3,(H,26,33)(H2,27,29,30,31)
InChIKeyRAGKXZDOOGXKJS-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.38
Rot. Bonds9

About 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide

3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide (PubChem CID 11568874) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide
PubChem CID11568874
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(Nc3ncc(F)c(Nc4ccc(OC(C)C)cc4)n3)ccc21
InChIInChI=1S/C24H26FN7O2/c1-15(2)34-19-7-4-17(5-8-19)29-23-20(25)14-27-24(31-23)30-18-6-9-21-16(12-18)13-28-32(21)11-10-22(33)26-3/h4-9,12-15H,10-11H2,1-3H3,(H,26,33)(H2,27,29,30,31)
InChIKeyRAGKXZDOOGXKJS-UHFFFAOYSA-N
XLogP4.38
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide (CID 11568874) is 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1ncc2cc(Nc3ncc(F)c(Nc4ccc(OC(C)C)cc4)n3)ccc21.
What is the InChIKey of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide?
The InChIKey is RAGKXZDOOGXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-15(2)34-19-7-4-17(5-8-19)29-23-20(25)14-27-24(31-23)30-18-6-9-21-16(12-18)13-28-32(21)11-10-22(33)26-3/h4-9,12-15H,10-11H2,1-3H3,(H,26,33)(H2,27,29,30,31).
What are the key properties of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide?
3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide has a molecular weight of 463.52 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 11568874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).