4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C23H22N8 — CID 165021356

IUPAC4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC1C2C[C@@H]1CN(c1ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2
InChIInChI=1S/C23H22N8/c1-14-16-5-17(14)12-30(11-16)21-4-3-15(7-25-21)22-23-18(6-24)8-27-31(23)13-20(28-22)19-9-26-29(2)10-19/h3-4,7-10,13-14,16-17H,5,11-12H2,1-2H3/t14?,16-,17?/m1/s1
InChIKeyBVGWMUGCOWUPNU-ARWYELJZSA-N
MW410.49 g/mol
LogP3.16
Rot. Bonds3

About 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 165021356) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID165021356
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC1C2C[C@@H]1CN(c1ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2
InChIInChI=1S/C23H22N8/c1-14-16-5-17(14)12-30(11-16)21-4-3-15(7-25-21)22-23-18(6-24)8-27-31(23)13-20(28-22)19-9-26-29(2)10-19/h3-4,7-10,13-14,16-17H,5,11-12H2,1-2H3/t14?,16-,17?/m1/s1
InChIKeyBVGWMUGCOWUPNU-ARWYELJZSA-N
XLogP3.16
TPSA87.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165021355
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
6-(1-methylpyrazol-4-yl)-4-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 175803675
4-[6-[(3R)-3-ethylpiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165013733
(3S)-3-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135241309
6-(1-methylpyrazol-4-yl)-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135242009
4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 135242331
4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241951
tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 142404155
N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
CID 135240867
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 174117085
4-[6-[4-[(2R)-2-amino-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241914

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 165021356) is 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC1C2C[C@@H]1CN(c1ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2.
What is the InChIKey of 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is BVGWMUGCOWUPNU-ARWYELJZSA-N. The full InChI is InChI=1S/C23H22N8/c1-14-16-5-17(14)12-30(11-16)21-4-3-15(7-25-21)22-23-18(6-24)8-27-31(23)13-20(28-22)19-9-26-29(2)10-19/h3-4,7-10,13-14,16-17H,5,11-12H2,1-2H3/t14?,16-,17?/m1/s1.
What are the key properties of 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 410.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5S)-6-methyl-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 165021356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).