(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C20H23N5O2 — CID 95389437

IUPAC(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C20H23N5O2/c1-11(2)24-19-18(20(27)23-24)15(10-16(26)21-19)17-12(3)22-25(13(17)4)14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3,(H,21,26)(H,23,27)/t15-/m1/s1
InChIKeyNMBZSGMNCCXSAK-OAHLLOKOSA-N
MW365.44 g/mol
LogP3.03
Rot. Bonds3

About (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95389437) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95389437
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C20H23N5O2/c1-11(2)24-19-18(20(27)23-24)15(10-16(26)21-19)17-12(3)22-25(13(17)4)14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3,(H,21,26)(H,23,27)/t15-/m1/s1
InChIKeyNMBZSGMNCCXSAK-OAHLLOKOSA-N
XLogP3.03
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 53369444
(4R)-4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389870
(4S)-4-(3-methylphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706080
(4S)-4-(5-phenylfuran-2-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388677
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
(4R)-4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389300
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
(4R)-4-(2-oxo-1H-quinolin-3-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390066
3-methyl-4-(1-methylpyrazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416863
(4R)-1-propan-2-yl-4-(2,3,4-trifluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390039
(4S)-4-(3,4-difluorophenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390835

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95389437) is (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C(C)C.
What is the InChIKey of (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is NMBZSGMNCCXSAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-11(2)24-19-18(20(27)23-24)15(10-16(26)21-19)17-12(3)22-25(13(17)4)14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3,(H,21,26)(H,23,27)/t15-/m1/s1.
What are the key properties of (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 365.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95389437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).