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

C15H15FN4O — CID 136962556

IUPAC7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(F)cccc3c2[nH]1
InChIInChI=1S/C15H15FN4O/c16-11-3-1-2-10-14(11)19-20-12(8-13(21)18-15(10)20)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,21)
InChIKeyWIABCIDGQJRJRH-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.78
Rot. Bonds1

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

7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962556) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962556
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(F)cccc3c2[nH]1
InChIInChI=1S/C15H15FN4O/c16-11-3-1-2-10-14(11)19-20-12(8-13(21)18-15(10)20)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,21)
InChIKeyWIABCIDGQJRJRH-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

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Launch Full Analysis

Related Compounds

7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962555
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962762
6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride
CID 136962753
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251712
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
CID 137053877
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one
CID 136962724
10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962693

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962556) is 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3c(F)cccc3c2[nH]1.
What is the InChIKey of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is WIABCIDGQJRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-11-3-1-2-10-14(11)19-20-12(8-13(21)18-15(10)20)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,21).
What are the key properties of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
7-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 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).