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

C15H21N5O — CID 14590563

IUPAC(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone
SMILESCCCCCn1ncc2c(N)c(C(=O)N3CCC3)cnc21
InChIInChI=1S/C15H21N5O/c1-2-3-4-8-20-14-11(10-18-20)13(16)12(9-17-14)15(21)19-6-5-7-19/h9-10H,2-8H2,1H3,(H2,16,17)
InChIKeyQTTXNYXDRIYQKE-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds5

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

(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone (PubChem CID 14590563) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone
PubChem CID14590563
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone
SMILESCCCCCn1ncc2c(N)c(C(=O)N3CCC3)cnc21
InChIInChI=1S/C15H21N5O/c1-2-3-4-8-20-14-11(10-18-20)13(16)12(9-17-14)15(21)19-6-5-7-19/h9-10H,2-8H2,1H3,(H2,16,17)
InChIKeyQTTXNYXDRIYQKE-UHFFFAOYSA-N
XLogP2.05
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
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 (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone?
The IUPAC name of (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone (CID 14590563) is (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone is CCCCCn1ncc2c(N)c(C(=O)N3CCC3)cnc21.
What is the InChIKey of (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone?
The InChIKey is QTTXNYXDRIYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-3-4-8-20-14-11(10-18-20)13(16)12(9-17-14)15(21)19-6-5-7-19/h9-10H,2-8H2,1H3,(H2,16,17).
What are the key properties of (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone?
(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)-(azetidin-1-yl)methanone is sourced from PubChem (CID 14590563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).