3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile

C21H17N9 — CID 155207426

IUPAC3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CC(C#N)C4)c4ncncc34)n2)cn1
InChIInChI=1S/C21H17N9/c1-28-9-14(7-26-28)18-11-30-19(2-3-25-30)20(27-18)17-10-29(15-4-13(5-15)6-22)21-16(17)8-23-12-24-21/h2-3,7-13,15H,4-5H2,1H3
InChIKeyRHIAVLWZQILZSY-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.02
Rot. Bonds3

About 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile

3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile (PubChem CID 155207426) has the molecular formula C21H17N9 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile
PubChem CID155207426
Molecular FormulaC21H17N9
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CC(C#N)C4)c4ncncc34)n2)cn1
InChIInChI=1S/C21H17N9/c1-28-9-14(7-26-28)18-11-30-19(2-3-25-30)20(27-18)17-10-29(15-4-13(5-15)6-22)21-16(17)8-23-12-24-21/h2-3,7-13,15H,4-5H2,1H3
InChIKeyRHIAVLWZQILZSY-UHFFFAOYSA-N
XLogP3.02
TPSA102.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyanomethyl)-3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile
CID 155195699
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazole-1-carbonitrile
CID 130380690
3-[(5R)-3-[2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutane-1-carbonitrile
CID 175983100
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol
CID 155207355
4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 146499039
N-[1-[3-cyano-1-(isocyanomethyl)cyclobutyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-yl]acetamide
CID 164804848
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
CID 163301689
2-[1-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-phenylmethoxycyclobutyl]acetonitrile
CID 155195731
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
CID 172552286
3-(cyanomethyl)-3-[4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
CID 130339317
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
CID 155195742

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile (CID 155207426) is 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile is Cn1cc(-c2cn3nccc3c(-c3cn(C4CC(C#N)C4)c4ncncc34)n2)cn1.
What is the InChIKey of 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile?
The InChIKey is RHIAVLWZQILZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9/c1-28-9-14(7-26-28)18-11-30-19(2-3-25-30)20(27-18)17-10-29(15-4-13(5-15)6-22)21-16(17)8-23-12-24-21/h2-3,7-13,15H,4-5H2,1H3.
What are the key properties of 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile?
3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile has a molecular weight of 395.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 155207426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).