4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C14H19N5O2 — CID 87129251

IUPAC4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCON(C)C(=O)c1cnc2c(c(C)nn2C)c1NC1CC1
InChIInChI=1S/C14H19N5O2/c1-8-11-12(16-9-5-6-9)10(14(20)19(3)21-4)7-15-13(11)18(2)17-8/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyOMQXBGLUSBHHKD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.48
Rot. Bonds4

About 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 87129251) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID87129251
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCON(C)C(=O)c1cnc2c(c(C)nn2C)c1NC1CC1
InChIInChI=1S/C14H19N5O2/c1-8-11-12(16-9-5-6-9)10(14(20)19(3)21-4)7-15-13(11)18(2)17-8/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyOMQXBGLUSBHHKD-UHFFFAOYSA-N
XLogP1.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 87129251) is 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is CON(C)C(=O)c1cnc2c(c(C)nn2C)c1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OMQXBGLUSBHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-11-12(16-9-5-6-9)10(14(20)19(3)21-4)7-15-13(11)18(2)17-8/h7,9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87129251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).