1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone

C23H23FN8O2 — CID 67294524

IUPAC1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
SMILESNc1c(F)c(C2CC3CCC(C2)N3C(=O)CO)nc2c(-c3ccc(-c4ncc[nH]4)nc3)cnn12
InChIInChI=1S/C23H23FN8O2/c24-19-20(13-7-14-2-3-15(8-13)31(14)18(34)11-33)30-23-16(10-29-32(23)21(19)25)12-1-4-17(28-9-12)22-26-5-6-27-22/h1,4-6,9-10,13-15,33H,2-3,7-8,11,25H2,(H,26,27)
InChIKeyHZJIFIZIBBIHPG-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.13
Rot. Bonds4

About 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone

1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone (PubChem CID 67294524) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
PubChem CID67294524
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
SMILESNc1c(F)c(C2CC3CCC(C2)N3C(=O)CO)nc2c(-c3ccc(-c4ncc[nH]4)nc3)cnn12
InChIInChI=1S/C23H23FN8O2/c24-19-20(13-7-14-2-3-15(8-13)31(14)18(34)11-33)30-23-16(10-29-32(23)21(19)25)12-1-4-17(28-9-12)22-26-5-6-27-22/h1,4-6,9-10,13-15,33H,2-3,7-8,11,25H2,(H,26,27)
InChIKeyHZJIFIZIBBIHPG-UHFFFAOYSA-N
XLogP2.13
TPSA138.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone (CID 67294524) is 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone is Nc1c(F)c(C2CC3CCC(C2)N3C(=O)CO)nc2c(-c3ccc(-c4ncc[nH]4)nc3)cnn12.
What is the InChIKey of 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The InChIKey is HZJIFIZIBBIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c24-19-20(13-7-14-2-3-15(8-13)31(14)18(34)11-33)30-23-16(10-29-32(23)21(19)25)12-1-4-17(28-9-12)22-26-5-6-27-22/h1,4-6,9-10,13-15,33H,2-3,7-8,11,25H2,(H,26,27).
What are the key properties of 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone has a molecular weight of 462.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-amino-6-fluoro-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone is sourced from PubChem (CID 67294524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).