4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H28N8 — CID 126740323

IUPAC4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC5(CCNCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H28N8/c1-32-17-22(16-30-32)20-12-23(25-21(13-27)15-31-34(25)18-20)19-2-3-24(29-14-19)33-10-6-26(7-11-33)4-8-28-9-5-26/h2-3,12,14-18,28H,4-11H2,1H3
InChIKeyUSNUQRAEULXGNO-UHFFFAOYSA-N
MW452.57 g/mol
LogP3.64
Rot. Bonds3

About 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740323) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740323
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Name4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC5(CCNCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H28N8/c1-32-17-22(16-30-32)20-12-23(25-21(13-27)15-31-34(25)18-20)19-2-3-24(29-14-19)33-10-6-26(7-11-33)4-8-28-9-5-26/h2-3,12,14-18,28H,4-11H2,1H3
InChIKeyUSNUQRAEULXGNO-UHFFFAOYSA-N
XLogP3.64
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740323) is 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC5(CCNCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is USNUQRAEULXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-32-17-22(16-30-32)20-12-23(25-21(13-27)15-31-34(25)18-20)19-2-3-24(29-14-19)33-10-6-26(7-11-33)4-8-28-9-5-26/h2-3,12,14-18,28H,4-11H2,1H3.
What are the key properties of 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 452.57 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).