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

C20H25N7O2 — CID 137193687

IUPAC2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ncc2c(=O)[nH]c(NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc21
InChIInChI=1S/C20H25N7O2/c1-26-18-15(11-21-26)19(29)24-20(23-18)22-13-6-8-14(9-7-13)27-17(28)10-12-4-2-3-5-16(12)25-27/h10-11,13-14H,2-9H2,1H3,(H2,22,23,24,29)
InChIKeyHIDMYWOYCLIQLW-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.69
Rot. Bonds3

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

2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 137193687) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID137193687
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ncc2c(=O)[nH]c(NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc21
InChIInChI=1S/C20H25N7O2/c1-26-18-15(11-21-26)19(29)24-20(23-18)22-13-6-8-14(9-7-13)27-17(28)10-12-4-2-3-5-16(12)25-27/h10-11,13-14H,2-9H2,1H3,(H2,22,23,24,29)
InChIKeyHIDMYWOYCLIQLW-UHFFFAOYSA-N
XLogP1.69
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
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
2-[4-[(1,5-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936177
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
1-tert-butyl-6-[(4-methylcycloheptyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267771
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 126935332
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 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) is 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1ncc2c(=O)[nH]c(NC3CCC(n4nc5c(cc4=O)CCCC5)CC3)nc21.
What is the InChIKey of 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is HIDMYWOYCLIQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-26-18-15(11-21-26)19(29)24-20(23-18)22-13-6-8-14(9-7-13)27-17(28)10-12-4-2-3-5-16(12)25-27/h10-11,13-14H,2-9H2,1H3,(H2,22,23,24,29).
What are the key properties of 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 395.47 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 137193687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).