1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone

C24H26N8O2 — CID 73352721

IUPAC1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
SMILESC[C@@]12CC[C@@H](C[C@H](c3cn4c(-c5ccc(-c6ncc[nH]6)nc5)cnc4c(N)n3)C1)N2C(=O)CO
InChIInChI=1S/C24H26N8O2/c1-24-5-4-16(32(24)20(34)13-33)8-15(9-24)18-12-31-19(11-29-23(31)21(25)30-18)14-2-3-17(28-10-14)22-26-6-7-27-22/h2-3,6-7,10-12,15-16,33H,4-5,8-9,13H2,1H3,(H2,25,30)(H,26,27)/t15-,16-,24+/m0/s1
InChIKeyXSNKMPPKXVYLQO-CCHLGUQTSA-N
MW458.53 g/mol
LogP2.38
Rot. Bonds4

About 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone

1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone (PubChem CID 73352721) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
PubChem CID73352721
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
SMILESC[C@@]12CC[C@@H](C[C@H](c3cn4c(-c5ccc(-c6ncc[nH]6)nc5)cnc4c(N)n3)C1)N2C(=O)CO
InChIInChI=1S/C24H26N8O2/c1-24-5-4-16(32(24)20(34)13-33)8-15(9-24)18-12-31-19(11-29-23(31)21(25)30-18)14-2-3-17(28-10-14)22-26-6-7-27-22/h2-3,6-7,10-12,15-16,33H,4-5,8-9,13H2,1H3,(H2,25,30)(H,26,27)/t15-,16-,24+/m0/s1
InChIKeyXSNKMPPKXVYLQO-CCHLGUQTSA-N
XLogP2.38
TPSA138.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-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-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone (CID 73352721) is 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone is C[C@@]12CC[C@@H](C[C@H](c3cn4c(-c5ccc(-c6ncc[nH]6)nc5)cnc4c(N)n3)C1)N2C(=O)CO.
What is the InChIKey of 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
The InChIKey is XSNKMPPKXVYLQO-CCHLGUQTSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-24-5-4-16(32(24)20(34)13-33)8-15(9-24)18-12-31-19(11-29-23(31)21(25)30-18)14-2-3-17(28-10-14)22-26-6-7-27-22/h2-3,6-7,10-12,15-16,33H,4-5,8-9,13H2,1H3,(H2,25,30)(H,26,27)/t15-,16-,24+/m0/s1.
What are the key properties of 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone?
1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone has a molecular weight of 458.53 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,5S)-3-[8-amino-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone is sourced from PubChem (CID 73352721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).