(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H18N4O2 — CID 136713742

IUPAC(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESC/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C
InChIInChI=1S/C19H18N4O2/c1-12(10-13-6-5-9-25-13)14-11-16(24)21-19-17(14)18(22-23(19)2)15-7-3-4-8-20-15/h3-10,14H,11H2,1-2H3,(H,21,24)/b12-10+/t14-/m1/s1
InChIKeyDDBQCAUQCGBRAL-IEZBTEQYSA-N
MW334.38 g/mol
LogP3.60
Rot. Bonds3

About (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136713742) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136713742
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESC/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C
InChIInChI=1S/C19H18N4O2/c1-12(10-13-6-5-9-25-13)14-11-16(24)21-19-17(14)18(22-23(19)2)15-7-3-4-8-20-15/h3-10,14H,11H2,1-2H3,(H,21,24)/b12-10+/t14-/m1/s1
InChIKeyDDBQCAUQCGBRAL-IEZBTEQYSA-N
XLogP3.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

2-[(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 136882294
(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882356
3-tert-butyl-1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135987072
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697876
4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171389191
4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
CID 137259126
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370
3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione
CID 178197435
4-(5-chloro-3-methyl-2-pyridinyl)-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640010
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136713742) is (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C.
What is the InChIKey of (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DDBQCAUQCGBRAL-IEZBTEQYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(10-13-6-5-9-25-13)14-11-16(24)21-19-17(14)18(22-23(19)2)15-7-3-4-8-20-15/h3-10,14H,11H2,1-2H3,(H,21,24)/b12-10+/t14-/m1/s1.
What are the key properties of (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 334.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136713742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).