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

C20H21Cl2N9 — CID 135241456

IUPAC6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCNCC4)nc3)n2)cn1
InChIInChI=1S/C20H19N9.2ClH/c1-27-12-16(11-24-27)17-13-29-20(15(8-21)10-25-29)19(26-17)14-2-3-18(23-9-14)28-6-4-22-5-7-28;;/h2-3,9-13,22H,4-7H2,1H3;2*1H
InChIKeyDVVAKUKXESFRAJ-UHFFFAOYSA-N
MW458.36 g/mol
LogP2.32
Rot. Bonds3

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

6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride (PubChem CID 135241456) has the molecular formula C20H21Cl2N9 and a molecular weight of 458.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
PubChem CID135241456
Molecular FormulaC20H21Cl2N9
Molecular Weight458.36 g/mol
Exact Mass457.13
IUPAC Name6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCNCC4)nc3)n2)cn1
InChIInChI=1S/C20H19N9.2ClH/c1-27-12-16(11-24-27)17-13-29-20(15(8-21)10-25-29)19(26-17)14-2-3-18(23-9-14)28-6-4-22-5-7-28;;/h2-3,9-13,22H,4-7H2,1H3;2*1H
InChIKeyDVVAKUKXESFRAJ-UHFFFAOYSA-N
XLogP2.32
TPSA99.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
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-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725532
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
4-[6-[(3R)-3-ethylpiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165013733
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-[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
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
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
(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

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride (CID 135241456) is 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride is Cl.Cl.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCNCC4)nc3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride?
The InChIKey is DVVAKUKXESFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9.2ClH/c1-27-12-16(11-24-27)17-13-29-20(15(8-21)10-25-29)19(26-17)14-2-3-18(23-9-14)28-6-4-22-5-7-28;;/h2-3,9-13,22H,4-7H2,1H3;2*1H.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride?
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride has a molecular weight of 458.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 135241456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).