4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide

C9H10N4O2 — CID 166796739

IUPAC4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1ncc2c(CO)cc(C(N)=O)nc21
InChIInChI=1S/C9H10N4O2/c1-13-9-6(3-11-13)5(4-14)2-7(12-9)8(10)15/h2-3,14H,4H2,1H3,(H2,10,15)
InChIKeyKRSIKNUFYGVPNV-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.44
Rot. Bonds2

About 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide

4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 166796739) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID166796739
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1ncc2c(CO)cc(C(N)=O)nc21
InChIInChI=1S/C9H10N4O2/c1-13-9-6(3-11-13)5(4-14)2-7(12-9)8(10)15/h2-3,14H,4H2,1H3,(H2,10,15)
InChIKeyKRSIKNUFYGVPNV-UHFFFAOYSA-N
XLogP-0.44
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 166796739) is 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide is Cn1ncc2c(CO)cc(C(N)=O)nc21.
What is the InChIKey of 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is KRSIKNUFYGVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13-9-6(3-11-13)5(4-14)2-7(12-9)8(10)15/h2-3,14H,4H2,1H3,(H2,10,15).
What are the key properties of 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 206.20 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 166796739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).