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

C21H19N9 — CID 155195741

IUPAC3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c3ccnn3c2)cn1
InChIInChI=1S/C21H19N9/c1-28-11-16(10-26-28)15-6-17(19-2-5-25-29(19)12-15)18-13-30(27-20(18)24)21(3-4-22)7-14(8-21)9-23/h2,5-6,10-14H,3,7-8H2,1H3,(H2,24,27)
InChIKeyCJJRZFJLWYSSHL-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.72
Rot. Bonds4

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

3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 155195741) has the molecular formula C21H19N9 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-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]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
PubChem CID155195741
Molecular FormulaC21H19N9
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c3ccnn3c2)cn1
InChIInChI=1S/C21H19N9/c1-28-11-16(10-26-28)15-6-17(19-2-5-25-29(19)12-15)18-13-30(27-20(18)24)21(3-4-22)7-14(8-21)9-23/h2,5-6,10-14H,3,7-8H2,1H3,(H2,24,27)
InChIKeyCJJRZFJLWYSSHL-UHFFFAOYSA-N
XLogP2.72
TPSA126.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]pyridin-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]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 155195741) is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-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]pyridin-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]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is Cn1cc(-c2cc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c3ccnn3c2)cn1.
What is the InChIKey of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The InChIKey is CJJRZFJLWYSSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9/c1-28-11-16(10-26-28)15-6-17(19-2-5-25-29(19)12-15)18-13-30(27-20(18)24)21(3-4-22)7-14(8-21)9-23/h2,5-6,10-14H,3,7-8H2,1H3,(H2,24,27).
What are the key properties of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 397.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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]pyridin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155195741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).