(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

C25H24N4O3 — CID 94079061

IUPAC(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1
InChIInChI=1S/C25H24N4O3/c1-15-13-22(27-24-23(15)16(2)28-29(24)21-11-6-5-7-12-21)32-18(4)25(31)26-20-10-8-9-19(14-20)17(3)30/h5-14,18H,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyQHBSMEDEKISZHD-SFHVURJKSA-N
MW428.49 g/mol
LogP4.65
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 94079061) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID94079061
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1
InChIInChI=1S/C25H24N4O3/c1-15-13-22(27-24-23(15)16(2)28-29(24)21-11-6-5-7-12-21)32-18(4)25(31)26-20-10-8-9-19(14-20)17(3)30/h5-14,18H,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyQHBSMEDEKISZHD-SFHVURJKSA-N
XLogP4.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791159
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 50791469
(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079048
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079091
(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 94079061) is (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is QHBSMEDEKISZHD-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-13-22(27-24-23(15)16(2)28-29(24)21-11-6-5-7-12-21)32-18(4)25(31)26-20-10-8-9-19(14-20)17(3)30/h5-14,18H,1-4H3,(H,26,31)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 428.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 94079061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).