2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H25N7O2 — CID 137158972

IUPAC2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ncc2c(=O)[nH]c(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc21
InChIInChI=1S/C20H25N7O2/c1-25-18-15(11-21-25)19(29)23-20(22-18)26-8-6-13(7-9-26)12-27-17(28)10-14-4-2-3-5-16(14)24-27/h10-11,13H,2-9,12H2,1H3,(H,22,23,29)
InChIKeyKHRHOLTXNUJPTL-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.01
Rot. Bonds3

About 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 137158972) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID137158972
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ncc2c(=O)[nH]c(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc21
InChIInChI=1S/C20H25N7O2/c1-25-18-15(11-21-25)19(29)23-20(22-18)26-8-6-13(7-9-26)12-27-17(28)10-14-4-2-3-5-16(14)24-27/h10-11,13H,2-9,12H2,1H3,(H,22,23,29)
InChIKeyKHRHOLTXNUJPTL-UHFFFAOYSA-N
XLogP1.01
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 137193687
2-[[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864885
2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126863059
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042
2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862979
2-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865039
2-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851787
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864868
2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865085
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863098

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 137158972) is 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1ncc2c(=O)[nH]c(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc21.
What is the InChIKey of 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is KHRHOLTXNUJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-18-15(11-21-25)19(29)23-20(22-18)26-8-6-13(7-9-26)12-27-17(28)10-14-4-2-3-5-16(14)24-27/h10-11,13H,2-9,12H2,1H3,(H,22,23,29).
What are the key properties of 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 395.47 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 137158972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).