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

C15H21N5O — CID 57454903

IUPAC1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
SMILESCCCCCn1ncc2c(N)c(C3(C(N)=O)CC3)cnc21
InChIInChI=1S/C15H21N5O/c1-2-3-4-7-20-13-10(8-19-20)12(16)11(9-18-13)15(5-6-15)14(17)21/h8-9H,2-7H2,1H3,(H2,16,18)(H2,17,21)
InChIKeyNMZTYBKDMCNOFJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.72
Rot. Bonds6

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

1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide (PubChem CID 57454903) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
PubChem CID57454903
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
SMILESCCCCCn1ncc2c(N)c(C3(C(N)=O)CC3)cnc21
InChIInChI=1S/C15H21N5O/c1-2-3-4-7-20-13-10(8-19-20)12(16)11(9-18-13)15(5-6-15)14(17)21/h8-9H,2-7H2,1H3,(H2,16,18)(H2,17,21)
InChIKeyNMZTYBKDMCNOFJ-UHFFFAOYSA-N
XLogP1.72
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide (CID 57454903) is 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide is CCCCCn1ncc2c(N)c(C3(C(N)=O)CC3)cnc21.
What is the InChIKey of 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is NMZTYBKDMCNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-3-4-7-20-13-10(8-19-20)12(16)11(9-18-13)15(5-6-15)14(17)21/h8-9H,2-7H2,1H3,(H2,16,18)(H2,17,21).
What are the key properties of 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 57454903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).