(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C19H27N5O — CID 136698066

IUPAC(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1nn(C(C)(C)C)c(C)c1[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21
InChIInChI=1S/C19H27N5O/c1-10-15(11(2)24(23-10)19(3,4)5)13-9-14(25)20-18-16(13)17(21-22-18)12-7-6-8-12/h12-13H,6-9H2,1-5H3,(H2,20,21,22,25)/t13-/m1/s1
InChIKeyHDMSPUGJDDLLSJ-CYBMUJFWSA-N
MW341.46 g/mol
LogP3.72
Rot. Bonds2

About (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136698066) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136698066
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1nn(C(C)(C)C)c(C)c1[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21
InChIInChI=1S/C19H27N5O/c1-10-15(11(2)24(23-10)19(3,4)5)13-9-14(25)20-18-16(13)17(21-22-18)12-7-6-8-12/h12-13H,6-9H2,1-5H3,(H2,20,21,22,25)/t13-/m1/s1
InChIKeyHDMSPUGJDDLLSJ-CYBMUJFWSA-N
XLogP3.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135461961
4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
CID 154888893
(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95130349
3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135990253
4-(3-chloro-4-hydroxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412534
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
methyl (4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylate
CID 136713812
4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913579
(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136699299
(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713620
3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412868
(4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136737658

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136698066) is (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1nn(C(C)(C)C)c(C)c1[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21.
What is the InChIKey of (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is HDMSPUGJDDLLSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5O/c1-10-15(11(2)24(23-10)19(3,4)5)13-9-14(25)20-18-16(13)17(21-22-18)12-7-6-8-12/h12-13H,6-9H2,1-5H3,(H2,20,21,22,25)/t13-/m1/s1.
What are the key properties of (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 341.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136698066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).