10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C15H14BrFN4O — CID 136962493

IUPAC10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(F)ccc(Br)c3c2[nH]1
InChIInChI=1S/C15H14BrFN4O/c16-9-1-2-10(17)14-13(9)15-19-12(22)7-11(21(15)20-14)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2,(H,19,22)
InChIKeyDFOWSDNPCSTZTD-UHFFFAOYSA-N
MW365.21 g/mol
LogP2.54
Rot. Bonds1

About 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962493) has the molecular formula C15H14BrFN4O and a molecular weight of 365.21 g/mol. Its IUPAC name is 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962493
Molecular FormulaC15H14BrFN4O
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(F)ccc(Br)c3c2[nH]1
InChIInChI=1S/C15H14BrFN4O/c16-9-1-2-10(17)14-13(9)15-19-12(22)7-11(21(15)20-14)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2,(H,19,22)
InChIKeyDFOWSDNPCSTZTD-UHFFFAOYSA-N
XLogP2.54
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962493) is 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3c(F)ccc(Br)c3c2[nH]1.
What is the InChIKey of 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is DFOWSDNPCSTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4O/c16-9-1-2-10(17)14-13(9)15-19-12(22)7-11(21(15)20-14)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2,(H,19,22).
What are the key properties of 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 365.21 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).