1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C18H27N5O — CID 119504290

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C18H27N5O/c1-11-15-13(17(24)20-9-8-19-5)10-14(12-6-7-12)21-16(15)23(22-11)18(2,3)4/h10,12,19H,6-9H2,1-5H3,(H,20,24)
InChIKeyHIBKWSASSXOBIO-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.32
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119504290) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119504290
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C18H27N5O/c1-11-15-13(17(24)20-9-8-19-5)10-14(12-6-7-12)21-16(15)23(22-11)18(2,3)4/h10,12,19H,6-9H2,1-5H3,(H,20,24)
InChIKeyHIBKWSASSXOBIO-UHFFFAOYSA-N
XLogP2.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 119504290) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is CNCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HIBKWSASSXOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-11-15-13(17(24)20-9-8-19-5)10-14(12-6-7-12)21-16(15)23(22-11)18(2,3)4/h10,12,19H,6-9H2,1-5H3,(H,20,24).
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119504290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).