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

C16H17FN8O2 — CID 85471494

IUPAC2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C16H17FN8O2/c1-24-3-2-10(7-24)27-16-11(5-19-8-21-16)22-15(26)12-13(18)23-25-6-9(17)4-20-14(12)25/h4-6,8,10H,2-3,7H2,1H3,(H2,18,23)(H,22,26)/t10-/m0/s1
InChIKeyHPOAPVCNNYDHCE-JTQLQIEISA-N
MW372.36 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471494) has the molecular formula C16H17FN8O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471494
Molecular FormulaC16H17FN8O2
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C16H17FN8O2/c1-24-3-2-10(7-24)27-16-11(5-19-8-21-16)22-15(26)12-13(18)23-25-6-9(17)4-20-14(12)25/h4-6,8,10H,2-3,7H2,1H3,(H2,18,23)(H,22,26)/t10-/m0/s1
InChIKeyHPOAPVCNNYDHCE-JTQLQIEISA-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 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471494) is 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HPOAPVCNNYDHCE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN8O2/c1-24-3-2-10(7-24)27-16-11(5-19-8-21-16)22-15(26)12-13(18)23-25-6-9(17)4-20-14(12)25/h4-6,8,10H,2-3,7H2,1H3,(H2,18,23)(H,22,26)/t10-/m0/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[(3S)-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 2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).