(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H18ClN3O2 — CID 136887357

IUPAC(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H18ClN3O2/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(25-17)12-4-3-5-13(20)8-12/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyCFHCHKDKDCXRMK-CQSZACIVSA-N
MW355.83 g/mol
LogP4.85
Rot. Bonds3

About (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136887357) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136887357
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H18ClN3O2/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(25-17)12-4-3-5-13(20)8-12/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyCFHCHKDKDCXRMK-CQSZACIVSA-N
XLogP4.85
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632911
3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid
CID 135632681
(4R)-4-[5-(2-fluorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887537
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
(14R)-14-[5-(3-chlorophenyl)furan-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 95147653
1-methyl-3-[(4R)-6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]quinolin-2-one
CID 136887647
(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833222
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (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) is (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CFHCHKDKDCXRMK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(25-17)12-4-3-5-13(20)8-12/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.83 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136887357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).