3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

C20H18N10 — CID 155195687

IUPAC3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)cn1
InChIInChI=1S/C20H18N10/c1-28-10-14(9-25-28)16-12-29-17(2-5-24-29)18(26-16)15-11-30(27-19(15)23)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)
InChIKeySPQRBCVHNZXRER-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.12
Rot. Bonds4

About 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 155195687) has the molecular formula C20H18N10 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
PubChem CID155195687
Molecular FormulaC20H18N10
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)cn1
InChIInChI=1S/C20H18N10/c1-28-10-14(9-25-28)16-12-29-17(2-5-24-29)18(26-16)15-11-30(27-19(15)23)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)
InChIKeySPQRBCVHNZXRER-UHFFFAOYSA-N
XLogP2.12
TPSA139.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 155195687) is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)cn1.
What is the InChIKey of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The InChIKey is SPQRBCVHNZXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10/c1-28-10-14(9-25-28)16-12-29-17(2-5-24-29)18(26-16)15-11-30(27-19(15)23)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27).
What are the key properties of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 398.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155195687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).