tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C27H33N9O2 — CID 142404155

IUPACtert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCNC(=O)OC(C)(C)C.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCCCC4)nc3)n2)cn1
InChIInChI=1S/C21H20N8.C6H13NO2/c1-27-13-17(12-24-27)18-14-29-21(16(9-22)11-25-29)20(26-18)15-5-6-19(23-10-15)28-7-3-2-4-8-28;1-6(2,3)9-5(8)7-4/h5-6,10-14H,2-4,7-8H2,1H3;1-4H3,(H,7,8)
InChIKeyPYVPZFPWZROFTG-UHFFFAOYSA-N
MW515.62 g/mol
LogP4.19
Rot. Bonds3

About tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 142404155) has the molecular formula C27H33N9O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID142404155
Molecular FormulaC27H33N9O2
Molecular Weight515.62 g/mol
Exact Mass515.28
IUPAC Nametert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCNC(=O)OC(C)(C)C.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCCCC4)nc3)n2)cn1
InChIInChI=1S/C21H20N8.C6H13NO2/c1-27-13-17(12-24-27)18-14-29-21(16(9-22)11-25-29)20(26-18)15-5-6-19(23-10-15)28-7-3-2-4-8-28;1-6(2,3)9-5(8)7-4/h5-6,10-14H,2-4,7-8H2,1H3;1-4H3,(H,7,8)
InChIKeyPYVPZFPWZROFTG-UHFFFAOYSA-N
XLogP4.19
TPSA126.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyrrolidine-1-carboxylate
CID 153452994
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
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
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
(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
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-amino-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241914
4-[6-[4-[2-(dimethylamino)-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 146371993
4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165083677
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
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
4-[6-[(3R)-3-ethylpiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165013733

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 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) is tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is CNC(=O)OC(C)(C)C.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCCCC4)nc3)n2)cn1.
What is the InChIKey of tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is PYVPZFPWZROFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8.C6H13NO2/c1-27-13-17(12-24-27)18-14-29-21(16(9-22)11-25-29)20(26-18)15-5-6-19(23-10-15)28-7-3-2-4-8-28;1-6(2,3)9-5(8)7-4/h5-6,10-14H,2-4,7-8H2,1H3;1-4H3,(H,7,8).
What are the key properties of tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 515.62 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 142404155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).