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

C21H19FN4O — CID 136962569

IUPAC9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3ccc(F)c(-c4ccccc4)c3c2[nH]1
InChIInChI=1S/C21H19FN4O/c22-15-6-7-16-20(19(15)14-4-2-1-3-5-14)21-24-18(27)12-17(26(21)25-16)13-8-10-23-11-9-13/h1-7,12-13,23H,8-11H2,(H,24,27)
InChIKeyNORWSQPVXYFCFO-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.45
Rot. Bonds2

About 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962569) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962569
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3ccc(F)c(-c4ccccc4)c3c2[nH]1
InChIInChI=1S/C21H19FN4O/c22-15-6-7-16-20(19(15)14-4-2-1-3-5-14)21-24-18(27)12-17(26(21)25-16)13-8-10-23-11-9-13/h1-7,12-13,23H,8-11H2,(H,24,27)
InChIKeyNORWSQPVXYFCFO-UHFFFAOYSA-N
XLogP3.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962569) is 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3ccc(F)c(-c4ccccc4)c3c2[nH]1.
What is the InChIKey of 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is NORWSQPVXYFCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-15-6-7-16-20(19(15)14-4-2-1-3-5-14)21-24-18(27)12-17(26(21)25-16)13-8-10-23-11-9-13/h1-7,12-13,23H,8-11H2,(H,24,27).
What are the key properties of 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 362.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).