7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C15H14Cl2N4O — CID 136962762

IUPAC7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(Cl)cc(Cl)cc3c2[nH]1
InChIInChI=1S/C15H14Cl2N4O/c16-9-5-10-14(11(17)6-9)20-21-12(7-13(22)19-15(10)21)8-1-3-18-4-2-8/h5-8,18H,1-4H2,(H,19,22)
InChIKeySSHONGPABJSMOF-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.95
Rot. Bonds1

About 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962762) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962762
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(Cl)cc(Cl)cc3c2[nH]1
InChIInChI=1S/C15H14Cl2N4O/c16-9-5-10-14(11(17)6-9)20-21-12(7-13(22)19-15(10)21)8-1-3-18-4-2-8/h5-8,18H,1-4H2,(H,19,22)
InChIKeySSHONGPABJSMOF-UHFFFAOYSA-N
XLogP2.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one with MolForge

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Related Compounds

tert-butyl 4-(7,9-dichloro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962864
7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962556
7-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962555
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962693
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-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962520
13-bromo-6-piperidin-4-yl-3,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one
CID 136962645
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
CID 146866868
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 139326948

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962762) is 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3c(Cl)cc(Cl)cc3c2[nH]1.
What is the InChIKey of 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is SSHONGPABJSMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-9-5-10-14(11(17)6-9)20-21-12(7-13(22)19-15(10)21)8-1-3-18-4-2-8/h5-8,18H,1-4H2,(H,19,22).
What are the key properties of 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 337.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).