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

C17H19FN8O2 — CID 85473432

IUPAC2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C17H19FN8O2/c1-25-4-2-3-11(8-25)28-17-12(6-20-9-22-17)23-16(27)13-14(19)24-26-7-10(18)5-21-15(13)26/h5-7,9,11H,2-4,8H2,1H3,(H2,19,24)(H,23,27)/t11-/m1/s1
InChIKeyUXADNEHRRKGYHG-LLVKDONJSA-N
MW386.39 g/mol
LogP0.97
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85473432) has the molecular formula C17H19FN8O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85473432
Molecular FormulaC17H19FN8O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC Name2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C17H19FN8O2/c1-25-4-2-3-11(8-25)28-17-12(6-20-9-22-17)23-16(27)13-14(19)24-26-7-10(18)5-21-15(13)26/h5-7,9,11H,2-4,8H2,1H3,(H2,19,24)(H,23,27)/t11-/m1/s1
InChIKeyUXADNEHRRKGYHG-LLVKDONJSA-N
XLogP0.97
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 50.97
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-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85473432) is 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UXADNEHRRKGYHG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19FN8O2/c1-25-4-2-3-11(8-25)28-17-12(6-20-9-22-17)23-16(27)13-14(19)24-26-7-10(18)5-21-15(13)26/h5-7,9,11H,2-4,8H2,1H3,(H2,19,24)(H,23,27)/t11-/m1/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 0.97, 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-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85473432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).