(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one

C26H28N4O3 — CID 158816453

IUPAC(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
SMILESCOCCOC[C@@H](CC(=O)Cc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1
InChIInChI=1S/C26H28N4O3/c1-19-12-24(8-9-27-19)30-26-17-28-23(13-21(26)16-29-30)15-25(31)14-22(18-33-11-10-32-2)20-6-4-3-5-7-20/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3/t22-/m1/s1
InChIKeyIVIHCVXCAUMJIL-JOCHJYFZSA-N
MW444.54 g/mol
LogP4.07
Rot. Bonds11

About (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one

(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one (PubChem CID 158816453) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
PubChem CID158816453
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
SMILESCOCCOC[C@@H](CC(=O)Cc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1
InChIInChI=1S/C26H28N4O3/c1-19-12-24(8-9-27-19)30-26-17-28-23(13-21(26)16-29-30)15-25(31)14-22(18-33-11-10-32-2)20-6-4-3-5-7-20/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3/t22-/m1/s1
InChIKeyIVIHCVXCAUMJIL-JOCHJYFZSA-N
XLogP4.07
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-5-morpholin-4-yl-4-phenylpentan-2-one
CID 152790741
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 157061257
N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
CID 160656274
1-[(3R,4R)-1-methyl-4-(3-phenylpropyl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 158224666
N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 159211873
1-[(3R,4S)-1-methyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 160808802
1-[(3S,4R)-4-(4-fluorophenoxy)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 147419486
N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 161230175
1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 162138722
2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
CID 159397030
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea
CID 121418052
N-(2-phenylethyl)-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
CID 159506062

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one?
The IUPAC name of (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one (CID 158816453) is (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one.
What is the SMILES notation for (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one?
The canonical SMILES for (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one is COCCOC[C@@H](CC(=O)Cc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1.
What is the InChIKey of (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one?
The InChIKey is IVIHCVXCAUMJIL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19-12-24(8-9-27-19)30-26-17-28-23(13-21(26)16-29-30)15-25(31)14-22(18-33-11-10-32-2)20-6-4-3-5-7-20/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3/t22-/m1/s1.
What are the key properties of (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one?
(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one has a molecular weight of 444.54 g/mol, XLogP of 4.07, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one is sourced from PubChem (CID 158816453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).