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

C15H16ClFN4O — CID 136962555

IUPAC7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3c(F)cccc3c2[nH]1
InChIInChI=1S/C15H15FN4O.ClH/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);1H
InChIKeyYYSPAFDNGJVELO-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.20
Rot. Bonds1

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

7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 136962555) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID136962555
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3c(F)cccc3c2[nH]1
InChIInChI=1S/C15H15FN4O.ClH/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);1H
InChIKeyYYSPAFDNGJVELO-UHFFFAOYSA-N
XLogP2.20
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962556
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
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
7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962762
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
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
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962723
10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962520
10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053923
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The IUPAC name of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 136962555) is 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is YYSPAFDNGJVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O.ClH/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);1H.
What are the key properties of 7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 322.77 g/mol, XLogP of 2.20, 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;hydrochloride is sourced from PubChem (CID 136962555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).