(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C20H18ClN3O2 — CID 136759813

IUPAC(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2
InChIInChI=1S/C20H18ClN3O2/c1-12-19-17(10-18(25)22-20(19)24-23-12)14-4-8-16(9-5-14)26-11-13-2-6-15(21)7-3-13/h2-9,17H,10-11H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
InChIKeyUYDMYUFHSOMDDJ-QGZVFWFLSA-N
MW367.84 g/mol
LogP4.42
Rot. Bonds4

About (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136759813) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136759813
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2
InChIInChI=1S/C20H18ClN3O2/c1-12-19-17(10-18(25)22-20(19)24-23-12)14-4-8-16(9-5-14)26-11-13-2-6-15(21)7-3-13/h2-9,17H,10-11H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
InChIKeyUYDMYUFHSOMDDJ-QGZVFWFLSA-N
XLogP4.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136759813) is (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC(=O)N2.
What is the InChIKey of (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is UYDMYUFHSOMDDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-19-17(10-18(25)22-20(19)24-23-12)14-4-8-16(9-5-14)26-11-13-2-6-15(21)7-3-13/h2-9,17H,10-11H2,1H3,(H2,22,23,24,25)/t17-/m1/s1.
What are the key properties of (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 367.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136759813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).