ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C25H31N7O2 — CID 144786649

IUPACethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC.CC(Oc1nc(-c2ccc(N3CCNCC3)cc2)cn2ncc(C#N)c12)C1CNC(=O)C1
InChIInChI=1S/C23H25N7O2.C2H6/c1-15(17-10-21(31)26-12-17)32-23-22-18(11-24)13-27-30(22)14-20(28-23)16-2-4-19(5-3-16)29-8-6-25-7-9-29;1-2/h2-5,13-15,17,25H,6-10,12H2,1H3,(H,26,31);1-2H3
InChIKeyVTGOMMVDFWGFOS-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.61
Rot. Bonds5

About ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 144786649) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Nameethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID144786649
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Nameethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC.CC(Oc1nc(-c2ccc(N3CCNCC3)cc2)cn2ncc(C#N)c12)C1CNC(=O)C1
InChIInChI=1S/C23H25N7O2.C2H6/c1-15(17-10-21(31)26-12-17)32-23-22-18(11-24)13-27-30(22)14-20(28-23)16-2-4-19(5-3-16)29-8-6-25-7-9-29;1-2/h2-5,13-15,17,25H,6-10,12H2,1H3,(H,26,31);1-2H3
InChIKeyVTGOMMVDFWGFOS-UHFFFAOYSA-N
XLogP2.61
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 123566804
tert-butyl 4-[2-methoxy-4-[3-methyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]phenyl]piperazine-1-carboxylate
CID 123649724
(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 159312166
4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725532
(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 158572334
4-[1-[3-methyl-6-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123432561
4-[1-[3-cyclopropyl-6-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123712243
(4R)-4-[(1R)-1-[3-amino-5-(5-piperazin-1-yl-2-pyridinyl)-2-sulfanylphenoxy]ethyl]pyrrolidin-2-one
CID 136954738
(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157445580
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 162323720
4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
CID 123477168
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 144786649) is ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC.CC(Oc1nc(-c2ccc(N3CCNCC3)cc2)cn2ncc(C#N)c12)C1CNC(=O)C1.
What is the InChIKey of ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is VTGOMMVDFWGFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.C2H6/c1-15(17-10-21(31)26-12-17)32-23-22-18(11-24)13-27-30(22)14-20(28-23)16-2-4-19(5-3-16)29-8-6-25-7-9-29;1-2/h2-5,13-15,17,25H,6-10,12H2,1H3,(H,26,31);1-2H3.
What are the key properties of ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 461.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 144786649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).