1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C17H18N4O2 — CID 78856623

IUPAC1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(CO)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-12(11-22)20-17(23)15-7-14-9-19-21(16(14)18-8-15)10-13-5-3-2-4-6-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyYSGFUKITDFANSY-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.59
Rot. Bonds5

About 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78856623) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78856623
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(CO)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-12(11-22)20-17(23)15-7-14-9-19-21(16(14)18-8-15)10-13-5-3-2-4-6-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyYSGFUKITDFANSY-UHFFFAOYSA-N
XLogP1.59
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 86941781
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 17473060
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
1-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778930
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 78856623) is 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(CO)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YSGFUKITDFANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(11-22)20-17(23)15-7-14-9-19-21(16(14)18-8-15)10-13-5-3-2-4-6-13/h2-9,12,22H,10-11H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78856623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).