(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C12H15N5O — CID 136699299

IUPAC(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1[C@H](c1cnn(C)c1C)CC(=O)N2
InChIInChI=1S/C12H15N5O/c1-6-11-8(9-5-13-17(3)7(9)2)4-10(18)14-12(11)16-15-6/h5,8H,4H2,1-3H3,(H2,14,15,16,18)/t8-/m0/s1
InChIKeyFBEBXGFOKKJTAQ-QMMMGPOBSA-N
MW245.29 g/mol
LogP1.23
Rot. Bonds1

About (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136699299) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136699299
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1[C@H](c1cnn(C)c1C)CC(=O)N2
InChIInChI=1S/C12H15N5O/c1-6-11-8(9-5-13-17(3)7(9)2)4-10(18)14-12(11)16-15-6/h5,8H,4H2,1-3H3,(H2,14,15,16,18)/t8-/m0/s1
InChIKeyFBEBXGFOKKJTAQ-QMMMGPOBSA-N
XLogP1.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390433
3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412868
3-methyl-4-[2-(4-piperidin-1-ylbutoxy)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913109
(4R)-4-(1,5-dimethylpyrazol-4-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887280
(4R)-4-(2-ethoxy-3-methoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903269
(4S)-3-methyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759770
(4S)-4-[2-[(2-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903259
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136818131
3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171912073
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913942
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759813

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136699299) is (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1[C@H](c1cnn(C)c1C)CC(=O)N2.
What is the InChIKey of (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is FBEBXGFOKKJTAQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O/c1-6-11-8(9-5-13-17(3)7(9)2)4-10(18)14-12(11)16-15-6/h5,8H,4H2,1-3H3,(H2,14,15,16,18)/t8-/m0/s1.
What are the key properties of (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 245.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136699299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).