6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C29H29N9 — CID 162725614

IUPAC6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(CC)(c5ccccn5)CC4)nc3)n2)cn1
InChIInChI=1S/C29H29N9/c1-3-29(25-7-5-6-12-31-25)10-13-36(14-11-29)26-9-8-21(16-32-26)27-28-22(15-30)17-34-38(28)20-24(35-27)23-18-33-37(4-2)19-23/h5-9,12,16-20H,3-4,10-11,13-14H2,1-2H3
InChIKeyWZPYTOZKORMYKC-UHFFFAOYSA-N
MW503.61 g/mol
LogP4.89
Rot. Bonds6

About 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725614) has the molecular formula C29H29N9 and a molecular weight of 503.61 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID162725614
Molecular FormulaC29H29N9
Molecular Weight503.61 g/mol
Exact Mass503.25
IUPAC Name6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(CC)(c5ccccn5)CC4)nc3)n2)cn1
InChIInChI=1S/C29H29N9/c1-3-29(25-7-5-6-12-31-25)10-13-36(14-11-29)26-9-8-21(16-32-26)27-28-22(15-30)17-34-38(28)20-24(35-27)23-18-33-37(4-2)19-23/h5-9,12,16-20H,3-4,10-11,13-14H2,1-2H3
InChIKeyWZPYTOZKORMYKC-UHFFFAOYSA-N
XLogP4.89
TPSA100.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-[[6-[2-[4-[3-cyano-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl-methylamino]-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 170182686
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-(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-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167669206
1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 168856886
6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 168856816
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-[4-[[4-[[4-[3-cyano-4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrimidin-2-yl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 170182683

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725614) is 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(CC)(c5ccccn5)CC4)nc3)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is WZPYTOZKORMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9/c1-3-29(25-7-5-6-12-31-25)10-13-36(14-11-29)26-9-8-21(16-32-26)27-28-22(15-30)17-34-38(28)20-24(35-27)23-18-33-37(4-2)19-23/h5-9,12,16-20H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 503.61 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).