8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C13H16FN3 — CID 137012280

IUPAC8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCC(C)C1CCNc2c3ccc(F)cc3nn21
InChIInChI=1S/C13H16FN3/c1-8(2)12-5-6-15-13-10-4-3-9(14)7-11(10)16-17(12)13/h3-4,7-8,12,15H,5-6H2,1-2H3
InChIKeyJFPXMFFQLQYRRI-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.19
Rot. Bonds1

About 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 137012280) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID137012280
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCC(C)C1CCNc2c3ccc(F)cc3nn21
InChIInChI=1S/C13H16FN3/c1-8(2)12-5-6-15-13-10-4-3-9(14)7-11(10)16-17(12)13/h3-4,7-8,12,15H,5-6H2,1-2H3
InChIKeyJFPXMFFQLQYRRI-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 137012280) is 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is CC(C)C1CCNc2c3ccc(F)cc3nn21.
What is the InChIKey of 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is JFPXMFFQLQYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8(2)12-5-6-15-13-10-4-3-9(14)7-11(10)16-17(12)13/h3-4,7-8,12,15H,5-6H2,1-2H3.
What are the key properties of 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 233.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 137012280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).