3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

C20H25N9 — CID 166769880

IUPAC3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCc1cc(Nc2nc(NC3CC4CCC(C3)N4CCC#N)n3ccncc23)n[nH]1
InChIInChI=1S/C20H25N9/c1-13-9-18(27-26-13)24-19-17-12-22-6-8-29(17)20(25-19)23-14-10-15-3-4-16(11-14)28(15)7-2-5-21/h6,8-9,12,14-16H,2-4,7,10-11H2,1H3,(H,23,25)(H2,24,26,27)
InChIKeyWDQCQAJQDNQSSE-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.83
Rot. Bonds6

About 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (PubChem CID 166769880) has the molecular formula C20H25N9 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
PubChem CID166769880
Molecular FormulaC20H25N9
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC Name3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCc1cc(Nc2nc(NC3CC4CCC(C3)N4CCC#N)n3ccncc23)n[nH]1
InChIInChI=1S/C20H25N9/c1-13-9-18(27-26-13)24-19-17-12-22-6-8-29(17)20(25-19)23-14-10-15-3-4-16(11-14)28(15)7-2-5-21/h6,8-9,12,14-16H,2-4,7,10-11H2,1H3,(H,23,25)(H2,24,26,27)
InChIKeyWDQCQAJQDNQSSE-UHFFFAOYSA-N
XLogP2.83
TPSA109.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile with MolForge

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Related Compounds

3-[(1S,5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644875
3-[3-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769928
3-[(1S,5R)-3-[[6-methoxy-5-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646911
3-[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645971
3-[(5S)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-imidazo[4,5-c]pyridin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166773924
3-[(1S,5R)-3-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645747
3-[(1R,5S)-3-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646404
3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 167341970
3-[(1S,5R)-3-[[4-hydrazinyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166773713
3-[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxomethylidene)-1H-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 176531444
3-[(1S,5R)-3-[[8-methoxy-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propanenitrile
CID 146645169
3-[(1R,5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645689

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The IUPAC name of 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (CID 166769880) is 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.
What is the SMILES notation for 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The canonical SMILES for 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is Cc1cc(Nc2nc(NC3CC4CCC(C3)N4CCC#N)n3ccncc23)n[nH]1.
What is the InChIKey of 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The InChIKey is WDQCQAJQDNQSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9/c1-13-9-18(27-26-13)24-19-17-12-22-6-8-29(17)20(25-19)23-14-10-15-3-4-16(11-14)28(15)7-2-5-21/h6,8-9,12,14-16H,2-4,7,10-11H2,1H3,(H,23,25)(H2,24,26,27).
What are the key properties of 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile has a molecular weight of 391.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is sourced from PubChem (CID 166769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).