4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide

C18H21N5O — CID 57454904

IUPAC4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCCCCn1ncc2c(N)c(-c3ccc(C(N)=O)cc3)cnc21
InChIInChI=1S/C18H21N5O/c1-2-3-4-9-23-18-15(11-22-23)16(19)14(10-21-18)12-5-7-13(8-6-12)17(20)24/h5-8,10-11H,2-4,9H2,1H3,(H2,19,21)(H2,20,24)
InChIKeyOADSUKAEYCXXNO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds6

About 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide

4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 57454904) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID57454904
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCCCCn1ncc2c(N)c(-c3ccc(C(N)=O)cc3)cnc21
InChIInChI=1S/C18H21N5O/c1-2-3-4-9-23-18-15(11-22-23)16(19)14(10-21-18)12-5-7-13(8-6-12)17(20)24/h5-8,10-11H,2-4,9H2,1H3,(H2,19,21)(H2,20,24)
InChIKeyOADSUKAEYCXXNO-UHFFFAOYSA-N
XLogP2.97
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 57454903
ethyl 4-amino-6-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590525
4-(2-nonoxyphenyl)benzamide
CID 67822371
2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 70481084
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
4-(2-ethyl-1,2,4-triazol-3-yl)benzamide
CID 91531944
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide
CID 72895143
2-(4-amino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylacetamide
CID 57153253
8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
CID 10086185

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 57454904) is 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CCCCCn1ncc2c(N)c(-c3ccc(C(N)=O)cc3)cnc21.
What is the InChIKey of 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is OADSUKAEYCXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-3-4-9-23-18-15(11-22-23)16(19)14(10-21-18)12-5-7-13(8-6-12)17(20)24/h5-8,10-11H,2-4,9H2,1H3,(H2,19,21)(H2,20,24).
What are the key properties of 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 57454904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).