4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H28N8 — CID 126740248

IUPAC4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4C5CCC4CN(Cc4ccccc4)C5)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8/c1-35-17-25(15-33-35)23-11-28(30-24(12-31)14-34-37(30)18-23)22-7-10-29(32-13-22)38-26-8-9-27(38)20-36(19-26)16-21-5-3-2-4-6-21/h2-7,10-11,13-15,17-18,26-27H,8-9,16,19-20H2,1H3
InChIKeyVMRHGRUHICRFSP-UHFFFAOYSA-N
MW500.61 g/mol
LogP4.52
Rot. Bonds5

About 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740248) has the molecular formula C30H28N8 and a molecular weight of 500.61 g/mol. Its IUPAC name is 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740248
Molecular FormulaC30H28N8
Molecular Weight500.61 g/mol
Exact Mass500.24
IUPAC Name4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4C5CCC4CN(Cc4ccccc4)C5)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8/c1-35-17-25(15-33-35)23-11-28(30-24(12-31)14-34-37(30)18-23)22-7-10-29(32-13-22)38-26-8-9-27(38)20-36(19-26)16-21-5-3-2-4-6-21/h2-7,10-11,13-15,17-18,26-27H,8-9,16,19-20H2,1H3
InChIKeyVMRHGRUHICRFSP-UHFFFAOYSA-N
XLogP4.52
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740248) is 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4C5CCC4CN(Cc4ccccc4)C5)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VMRHGRUHICRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8/c1-35-17-25(15-33-35)23-11-28(30-24(12-31)14-34-37(30)18-23)22-7-10-29(32-13-22)38-26-8-9-27(38)20-36(19-26)16-21-5-3-2-4-6-21/h2-7,10-11,13-15,17-18,26-27H,8-9,16,19-20H2,1H3.
What are the key properties of 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 500.61 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).