5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN6O2 — CID 67500602

IUPAC5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12
InChIInChI=1S/C20H23FN6O2/c1-13-15(10-14(21)11-23-13)17-4-3-7-26(17)18-5-8-27-19(25-18)16(12-24-27)20(28)22-6-9-29-2/h5,8,10-12,17H,3-4,6-7,9H2,1-2H3,(H,22,28)
InChIKeyDGAFCFQIMXJUDW-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.29
Rot. Bonds6

About 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500602) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500602
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12
InChIInChI=1S/C20H23FN6O2/c1-13-15(10-14(21)11-23-13)17-4-3-7-26(17)18-5-8-27-19(25-18)16(12-24-27)20(28)22-6-9-29-2/h5,8,10-12,17H,3-4,6-7,9H2,1-2H3,(H,22,28)
InChIKeyDGAFCFQIMXJUDW-UHFFFAOYSA-N
XLogP2.29
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500602) is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12.
What is the InChIKey of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGAFCFQIMXJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-15(10-14(21)11-23-13)17-4-3-7-26(17)18-5-8-27-19(25-18)16(12-24-27)20(28)22-6-9-29-2/h5,8,10-12,17H,3-4,6-7,9H2,1-2H3,(H,22,28).
What are the key properties of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).