5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide

C17H18N8O2 — CID 164622255

IUPAC5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide
SMILESNc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCC(=O)NO
InChIInChI=1S/C17H18N8O2/c18-15-13-14(11-7-10-4-5-19-16(10)20-8-11)23-25(17(13)22-9-21-15)6-2-1-3-12(26)24-27/h4-5,7-9,27H,1-3,6H2,(H,19,20)(H,24,26)(H2,18,21,22)
InChIKeyXBZCFNFYWGDCKT-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.63
Rot. Bonds6

About 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide

5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide (PubChem CID 164622255) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide
PubChem CID164622255
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide
SMILESNc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCC(=O)NO
InChIInChI=1S/C17H18N8O2/c18-15-13-14(11-7-10-4-5-19-16(10)20-8-11)23-25(17(13)22-9-21-15)6-2-1-3-12(26)24-27/h4-5,7-9,27H,1-3,6H2,(H,19,20)(H,24,26)(H2,18,21,22)
InChIKeyXBZCFNFYWGDCKT-UHFFFAOYSA-N
XLogP1.63
TPSA147.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide (CID 164622255) is 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide is Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCC(=O)NO.
What is the InChIKey of 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide?
The InChIKey is XBZCFNFYWGDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c18-15-13-14(11-7-10-4-5-19-16(10)20-8-11)23-25(17(13)22-9-21-15)6-2-1-3-12(26)24-27/h4-5,7-9,27H,1-3,6H2,(H,19,20)(H,24,26)(H2,18,21,22).
What are the key properties of 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide?
5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide has a molecular weight of 366.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide is sourced from PubChem (CID 164622255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).