4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one

C15H20N4O — CID 137018656

IUPAC4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCCC3
InChIInChI=1S/C15H20N4O/c20-14-9-13(10-5-7-16-8-6-10)19-15(17-14)11-3-1-2-4-12(11)18-19/h9-10,16H,1-8H2,(H,17,20)
InChIKeyAVUSASNCWIPWQD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.37
Rot. Bonds1

About 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one

4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 137018656) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID137018656
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCCC3
InChIInChI=1S/C15H20N4O/c20-14-9-13(10-5-7-16-8-6-10)19-15(17-14)11-3-1-2-4-12(11)18-19/h9-10,16H,1-8H2,(H,17,20)
InChIKeyAVUSASNCWIPWQD-UHFFFAOYSA-N
XLogP1.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
CID 162655129
2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one
CID 162671888
US10118930, Example 30
CID 137018250
US10118930, Example 317
CID 137018316
US10118930, Example 413
CID 137018465
US10118930, Example 8
CID 137018480
US10118930, Example 26
CID 137018653
US10118930, Example 368
CID 137018693
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
CID 162658680
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 136565682
(3-Amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4,4a,8a-hexahydroquinolin-4-yl)methanone
CID 165081763

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (CID 137018656) is 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCCC3.
What is the InChIKey of 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is AVUSASNCWIPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14-9-13(10-5-7-16-8-6-10)19-15(17-14)11-3-1-2-4-12(11)18-19/h9-10,16H,1-8H2,(H,17,20).
What are the key properties of 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 137018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).