5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17FN8O2 — CID 90423513

IUPAC5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ncncc2NC(=O)c2cnn3cc(F)c(N)nc23)C1
InChIInChI=1S/C16H17FN8O2/c1-24-3-2-9(6-24)27-16-12(5-19-8-20-16)22-15(26)10-4-21-25-7-11(17)13(18)23-14(10)25/h4-5,7-9H,2-3,6H2,1H3,(H2,18,23)(H,22,26)
InChIKeyUNTRDAZGFIRFJH-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.58
Rot. Bonds4

About 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90423513) has the molecular formula C16H17FN8O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90423513
Molecular FormulaC16H17FN8O2
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ncncc2NC(=O)c2cnn3cc(F)c(N)nc23)C1
InChIInChI=1S/C16H17FN8O2/c1-24-3-2-9(6-24)27-16-12(5-19-8-20-16)22-15(26)10-4-21-25-7-11(17)13(18)23-14(10)25/h4-5,7-9H,2-3,6H2,1H3,(H2,18,23)(H,22,26)
InChIKeyUNTRDAZGFIRFJH-UHFFFAOYSA-N
XLogP0.58
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90423513) is 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Oc2ncncc2NC(=O)c2cnn3cc(F)c(N)nc23)C1.
What is the InChIKey of 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UNTRDAZGFIRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN8O2/c1-24-3-2-9(6-24)27-16-12(5-19-8-20-16)22-15(26)10-4-21-25-7-11(17)13(18)23-14(10)25/h4-5,7-9H,2-3,6H2,1H3,(H2,18,23)(H,22,26).
What are the key properties of 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90423513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).