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

C25H26N4O2 — CID 94079048

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-12-21(16(2)13-15)26-25(30)19(5)31-22-14-17(3)23-18(4)28-29(24(23)27-22)20-9-7-6-8-10-20/h6-14,19H,1-5H3,(H,26,30)/t19-/m1/s1
InChIKeyGMWWNTHZBHVPAH-LJQANCHMSA-N
MW414.51 g/mol
LogP5.06
Rot. Bonds5

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

(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 94079048) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID94079048
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-12-21(16(2)13-15)26-25(30)19(5)31-22-14-17(3)23-18(4)28-29(24(23)27-22)20-9-7-6-8-10-20/h6-14,19H,1-5H3,(H,26,30)/t19-/m1/s1
InChIKeyGMWWNTHZBHVPAH-LJQANCHMSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 50791469
N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791159
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079061
N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
(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-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079309
N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791248
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 94079048) is (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is GMWWNTHZBHVPAH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-11-12-21(16(2)13-15)26-25(30)19(5)31-22-14-17(3)23-18(4)28-29(24(23)27-22)20-9-7-6-8-10-20/h6-14,19H,1-5H3,(H,26,30)/t19-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 414.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 94079048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).