[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

C25H25N11O — CID 73353453

IUPAC[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCn1ccc(-c2ccc(-c3cnc4c(N)nc(C5C[C@H]6CC[C@@H](C5)N6C(=O)c5ncn[nH]5)cn34)cn2)n1
InChIInChI=1S/C25H25N11O/c1-34-7-6-19(33-34)18-5-2-14(10-27-18)21-11-28-24-22(26)31-20(12-35(21)24)15-8-16-3-4-17(9-15)36(16)25(37)23-29-13-30-32-23/h2,5-7,10-13,15-17H,3-4,8-9H2,1H3,(H2,26,31)(H,29,30,32)/t15?,16-,17+
InChIKeyWXGLBDJABWNETN-ALOPSCKCSA-N
MW495.55 g/mol
LogP2.44
Rot. Bonds4

About [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 73353453) has the molecular formula C25H25N11O and a molecular weight of 495.55 g/mol. Its IUPAC name is [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID73353453
Molecular FormulaC25H25N11O
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCn1ccc(-c2ccc(-c3cnc4c(N)nc(C5C[C@H]6CC[C@@H](C5)N6C(=O)c5ncn[nH]5)cn34)cn2)n1
InChIInChI=1S/C25H25N11O/c1-34-7-6-19(33-34)18-5-2-14(10-27-18)21-11-28-24-22(26)31-20(12-35(21)24)15-8-16-3-4-17(9-15)36(16)25(37)23-29-13-30-32-23/h2,5-7,10-13,15-17H,3-4,8-9H2,1H3,(H2,26,31)(H,29,30,32)/t15?,16-,17+
InChIKeyWXGLBDJABWNETN-ALOPSCKCSA-N
XLogP2.44
TPSA148.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 73353453) is [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is Cn1ccc(-c2ccc(-c3cnc4c(N)nc(C5C[C@H]6CC[C@@H](C5)N6C(=O)c5ncn[nH]5)cn34)cn2)n1.
What is the InChIKey of [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is WXGLBDJABWNETN-ALOPSCKCSA-N. The full InChI is InChI=1S/C25H25N11O/c1-34-7-6-19(33-34)18-5-2-14(10-27-18)21-11-28-24-22(26)31-20(12-35(21)24)15-8-16-3-4-17(9-15)36(16)25(37)23-29-13-30-32-23/h2,5-7,10-13,15-17H,3-4,8-9H2,1H3,(H2,26,31)(H,29,30,32)/t15?,16-,17+.
What are the key properties of [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 495.55 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 73353453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).