N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide

C24H25N9O — CID 135240867

IUPACN-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C24H25N9O/c1-16(34)30-24(2)7-4-8-32(15-24)21-6-5-17(10-26-21)22-23-18(9-25)11-28-33(23)14-20(29-22)19-12-27-31(3)13-19/h5-6,10-14H,4,7-8,15H2,1-3H3,(H,30,34)
InChIKeyJSNCQNUEYFQDNL-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.56
Rot. Bonds4

About N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide

N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide (PubChem CID 135240867) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
PubChem CID135240867
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC NameN-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C24H25N9O/c1-16(34)30-24(2)7-4-8-32(15-24)21-6-5-17(10-26-21)22-23-18(9-25)11-28-33(23)14-20(29-22)19-12-27-31(3)13-19/h5-6,10-14H,4,7-8,15H2,1-3H3,(H,30,34)
InChIKeyJSNCQNUEYFQDNL-UHFFFAOYSA-N
XLogP2.56
TPSA117.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide with MolForge

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Related Compounds

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
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
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
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
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-(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
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-[(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
(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-[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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide?
The IUPAC name of 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) is N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide is CC(=O)NC1(C)CCCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)C1.
What is the InChIKey of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide?
The InChIKey is JSNCQNUEYFQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-16(34)30-24(2)7-4-8-32(15-24)21-6-5-17(10-26-21)22-23-18(9-25)11-28-33(23)14-20(29-22)19-12-27-31(3)13-19/h5-6,10-14H,4,7-8,15H2,1-3H3,(H,30,34).
What are the key properties of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide?
N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide has a molecular weight of 455.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 135240867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).