N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C13H18N4O2 — CID 65031981

IUPACN-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)CO)cc12
InChIInChI=1S/C13H18N4O2/c1-8(7-18)5-15-13(19)10-4-11-9(2)16-17(3)12(11)14-6-10/h4,6,8,18H,5,7H2,1-3H3,(H,15,19)
InChIKeyREPAQNDQDVLWLB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.63
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 65031981) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID65031981
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)CO)cc12
InChIInChI=1S/C13H18N4O2/c1-8(7-18)5-15-13(19)10-4-11-9(2)16-17(3)12(11)14-6-10/h4,6,8,18H,5,7H2,1-3H3,(H,15,19)
InChIKeyREPAQNDQDVLWLB-UHFFFAOYSA-N
XLogP0.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 65031981) is N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCC(C)CO)cc12.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is REPAQNDQDVLWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(7-18)5-15-13(19)10-4-11-9(2)16-17(3)12(11)14-6-10/h4,6,8,18H,5,7H2,1-3H3,(H,15,19).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 65031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).