4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride

C16H25ClN4O — CID 154888893

IUPAC4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCl.NC1CCC(C2CC(=O)Nc3n[nH]c(C4CCC4)c32)CC1
InChIInChI=1S/C16H24N4O.ClH/c17-11-6-4-9(5-7-11)12-8-13(21)18-16-14(12)15(19-20-16)10-2-1-3-10;/h9-12H,1-8,17H2,(H2,18,19,20,21);1H
InChIKeyFLDSXTFMATXDNU-UHFFFAOYSA-N
MW324.86 g/mol
LogP3.04
Rot. Bonds2

About 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride

4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride (PubChem CID 154888893) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
PubChem CID154888893
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCl.NC1CCC(C2CC(=O)Nc3n[nH]c(C4CCC4)c32)CC1
InChIInChI=1S/C16H24N4O.ClH/c17-11-6-4-9(5-7-11)12-8-13(21)18-16-14(12)15(19-20-16)10-2-1-3-10;/h9-12H,1-8,17H2,(H2,18,19,20,21);1H
InChIKeyFLDSXTFMATXDNU-UHFFFAOYSA-N
XLogP3.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The IUPAC name of 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride (CID 154888893) is 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride.
What is the SMILES notation for 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The canonical SMILES for 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride is Cl.NC1CCC(C2CC(=O)Nc3n[nH]c(C4CCC4)c32)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The InChIKey is FLDSXTFMATXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.ClH/c17-11-6-4-9(5-7-11)12-8-13(21)18-16-14(12)15(19-20-16)10-2-1-3-10;/h9-12H,1-8,17H2,(H2,18,19,20,21);1H.
What are the key properties of 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride?
4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride is sourced from PubChem (CID 154888893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).