(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

C17H18N4O2 — CID 136820793

IUPAC(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1[C@H](/C(C)=C/c1ccccc1)CC(=O)N2
InChIInChI=1S/C17H18N4O2/c1-10(8-11-6-4-3-5-7-11)12-9-13(22)19-16-14(12)15(20-21-16)17(23)18-2/h3-8,12H,9H2,1-2H3,(H,18,23)(H2,19,20,21,22)/b10-8+/t12-/m0/s1
InChIKeyAYAGFJUVNMBSDV-OANVXVOSSA-N
MW310.36 g/mol
LogP2.30
Rot. Bonds3

About (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 136820793) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID136820793
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1[C@H](/C(C)=C/c1ccccc1)CC(=O)N2
InChIInChI=1S/C17H18N4O2/c1-10(8-11-6-4-3-5-7-11)12-9-13(22)19-16-14(12)15(20-21-16)17(23)18-2/h3-8,12H,9H2,1-2H3,(H,18,23)(H2,19,20,21,22)/b10-8+/t12-/m0/s1
InChIKeyAYAGFJUVNMBSDV-OANVXVOSSA-N
XLogP2.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-methyl-6-oxo-4-(2-phenylethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136907585
N-methyl-6-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421888
N-methyl-4-(2-methylpyrimidin-5-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421239
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
(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136698010
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136737606
4-(3,4-dimethylbenzoyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135986505
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
methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136713787
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(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
2-anilino-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135629396

Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (CID 136820793) is (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is CNC(=O)c1[nH]nc2c1[C@H](/C(C)=C/c1ccccc1)CC(=O)N2.
What is the InChIKey of (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is AYAGFJUVNMBSDV-OANVXVOSSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10(8-11-6-4-3-5-7-11)12-9-13(22)19-16-14(12)15(20-21-16)17(23)18-2/h3-8,12H,9H2,1-2H3,(H,18,23)(H2,19,20,21,22)/b10-8+/t12-/m0/s1.
What are the key properties of (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 136820793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).