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

C19H17Cl2N3O3 — CID 95390781

IUPAC(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17Cl2N3O3/c1-9(2)24-18-17(19(26)23-24)12(8-16(25)22-18)15-6-5-14(27-15)11-4-3-10(20)7-13(11)21/h3-7,9,12H,8H2,1-2H3,(H,22,25)(H,23,26)/t12-/m0/s1
InChIKeyDLFNIEWJHVOGMN-LBPRGKRZSA-N
MW406.27 g/mol
LogP4.80
Rot. Bonds3

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

(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95390781) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95390781
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17Cl2N3O3/c1-9(2)24-18-17(19(26)23-24)12(8-16(25)22-18)15-6-5-14(27-15)11-4-3-10(20)7-13(11)21/h3-7,9,12H,8H2,1-2H3,(H,22,25)(H,23,26)/t12-/m0/s1
InChIKeyDLFNIEWJHVOGMN-LBPRGKRZSA-N
XLogP4.80
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione with MolForge

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Related Compounds

(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)-4-(3-chloro-4-hydroxyphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390219
(4S)-4-(3,4-difluorophenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390835
(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-methylphenyl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706080
(4S)-4-(1,3-benzodioxol-5-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389030
(4S)-1-propan-2-yl-4-quinoxalin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388593
(4R)-1-propan-2-yl-4-quinoxalin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388594
(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887357
4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632911
(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
(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234742

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95390781) is (4R)-4-[5-(2,4-dichlorophenyl)furan-2-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-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is DLFNIEWJHVOGMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-9(2)24-18-17(19(26)23-24)12(8-16(25)22-18)15-6-5-14(27-15)11-4-3-10(20)7-13(11)21/h3-7,9,12H,8H2,1-2H3,(H,22,25)(H,23,26)/t12-/m0/s1.
What are the key properties of (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 406.27 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95390781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).