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

C22H26F2N8O2 — CID 90199048

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@@H](OC2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C22H26F2N8O2/c1-30-5-2-15(12-30)34-14-3-6-31(7-4-14)19-16(24)9-26-10-17(19)28-22(33)18-20(25)29-32-11-13(23)8-27-21(18)32/h8-11,14-15H,2-7,12H2,1H3,(H2,25,29)(H,28,33)/t15-/m1/s1
InChIKeyFIKORAOETIYDDP-OAHLLOKOSA-N
MW472.50 g/mol
LogP1.93
Rot. Bonds5

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

2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199048) has the molecular formula C22H26F2N8O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199048
Molecular FormulaC22H26F2N8O2
Molecular Weight472.50 g/mol
Exact Mass472.21
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@@H](OC2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C22H26F2N8O2/c1-30-5-2-15(12-30)34-14-3-6-31(7-4-14)19-16(24)9-26-10-17(19)28-22(33)18-20(25)29-32-11-13(23)8-27-21(18)32/h8-11,14-15H,2-7,12H2,1H3,(H2,25,29)(H,28,33)/t15-/m1/s1
InChIKeyFIKORAOETIYDDP-OAHLLOKOSA-N
XLogP1.93
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.93
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-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199048) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@@H](OC2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FIKORAOETIYDDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26F2N8O2/c1-30-5-2-15(12-30)34-14-3-6-31(7-4-14)19-16(24)9-26-10-17(19)28-22(33)18-20(25)29-32-11-13(23)8-27-21(18)32/h8-11,14-15H,2-7,12H2,1H3,(H2,25,29)(H,28,33)/t15-/m1/s1.
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 1.93, 5 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-[5-fluoro-4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).