8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C15H15FN4O — CID 136962460

IUPAC8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cc(F)ccc3c2[nH]1
InChIInChI=1S/C15H15FN4O/c16-10-1-2-11-12(7-10)19-20-13(8-14(21)18-15(11)20)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,21)
InChIKeyDZMASZZVHCWZFC-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.78
Rot. Bonds1

About 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962460) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962460
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cc(F)ccc3c2[nH]1
InChIInChI=1S/C15H15FN4O/c16-10-1-2-11-12(7-10)19-20-13(8-14(21)18-15(11)20)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,21)
InChIKeyDZMASZZVHCWZFC-UHFFFAOYSA-N
XLogP1.78
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
6-[(6R)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975103
AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
4-methylpyrimido[1,2-b]indazol-2(6H)-one
CID 135460475
6-[3-(4-Fluorophenyl)-1-methyl-5-(methylamino)pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 69575038
6-[2-(4-Fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135523986
6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135975142
10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962547
9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962569
2-(4-Fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983741

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962460) is 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cc(F)ccc3c2[nH]1.
What is the InChIKey of 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is DZMASZZVHCWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-10-1-2-11-12(7-10)19-20-13(8-14(21)18-15(11)20)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,21).
What are the key properties of 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 286.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).