N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N6O2 — CID 166284071

IUPACN-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c[nH]n2c(=O)ccnc12)C1CCN(c2ccncc2)C1
InChIInChI=1S/C17H18N6O2/c1-21(13-5-9-22(11-13)12-2-6-18-7-3-12)17(25)14-10-20-23-15(24)4-8-19-16(14)23/h2-4,6-8,10,13,20H,5,9,11H2,1H3
InChIKeyDIVWEENKWJVOQS-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.77
Rot. Bonds3

About N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166284071) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166284071
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c[nH]n2c(=O)ccnc12)C1CCN(c2ccncc2)C1
InChIInChI=1S/C17H18N6O2/c1-21(13-5-9-22(11-13)12-2-6-18-7-3-12)17(25)14-10-20-23-15(24)4-8-19-16(14)23/h2-4,6-8,10,13,20H,5,9,11H2,1H3
InChIKeyDIVWEENKWJVOQS-UHFFFAOYSA-N
XLogP0.77
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166284071) is N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)c1c[nH]n2c(=O)ccnc12)C1CCN(c2ccncc2)C1.
What is the InChIKey of N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DIVWEENKWJVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-21(13-5-9-22(11-13)12-2-6-18-7-3-12)17(25)14-10-20-23-15(24)4-8-19-16(14)23/h2-4,6-8,10,13,20H,5,9,11H2,1H3.
What are the key properties of N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166284071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).