N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H26N4O2 — CID 71980633

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2c(C)nn3cccnc23)C12CCCCC2
InChIInChI=1S/C19H26N4O2/c1-3-25-15-12-14(19(15)8-5-4-6-9-19)21-18(24)16-13(2)22-23-11-7-10-20-17(16)23/h7,10-11,14-15H,3-6,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRUHFZNUZQILKBY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.90
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71980633) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71980633
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2c(C)nn3cccnc23)C12CCCCC2
InChIInChI=1S/C19H26N4O2/c1-3-25-15-12-14(19(15)8-5-4-6-9-19)21-18(24)16-13(2)22-23-11-7-10-20-17(16)23/h7,10-11,14-15H,3-6,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRUHFZNUZQILKBY-UHFFFAOYSA-N
XLogP2.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71980633) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC1CC(NC(=O)c2c(C)nn3cccnc23)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RUHFZNUZQILKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-15-12-14(19(15)8-5-4-6-9-19)21-18(24)16-13(2)22-23-11-7-10-20-17(16)23/h7,10-11,14-15H,3-6,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71980633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).