N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid

C16H17N5O4 — CID 163341206

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
SMILESCn1ncc2ncc(C(=O)NCc3cc(C4CC4)on3)cc21.O=CO
InChIInChI=1S/C15H15N5O2.CH2O2/c1-20-13-4-10(6-16-12(13)8-18-20)15(21)17-7-11-5-14(22-19-11)9-2-3-9;2-1-3/h4-6,8-9H,2-3,7H2,1H3,(H,17,21);1H,(H,2,3)
InChIKeyBMAFYURBHSKNCM-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.46
Rot. Bonds4

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid (PubChem CID 163341206) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
PubChem CID163341206
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
SMILESCn1ncc2ncc(C(=O)NCc3cc(C4CC4)on3)cc21.O=CO
InChIInChI=1S/C15H15N5O2.CH2O2/c1-20-13-4-10(6-16-12(13)8-18-20)15(21)17-7-11-5-14(22-19-11)9-2-3-9;2-1-3/h4-6,8-9H,2-3,7H2,1H3,(H,17,21);1H,(H,2,3)
InChIKeyBMAFYURBHSKNCM-UHFFFAOYSA-N
XLogP1.46
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid (CID 163341206) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid is Cn1ncc2ncc(C(=O)NCc3cc(C4CC4)on3)cc21.O=CO.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid?
The InChIKey is BMAFYURBHSKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.CH2O2/c1-20-13-4-10(6-16-12(13)8-18-20)15(21)17-7-11-5-14(22-19-11)9-2-3-9;2-1-3/h4-6,8-9H,2-3,7H2,1H3,(H,17,21);1H,(H,2,3).
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid has a molecular weight of 343.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid is sourced from PubChem (CID 163341206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).