4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26N8 — CID 126740315

IUPAC4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC5(CCCN5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C25H26N8/c1-31-16-21(15-29-31)19-11-22(24-20(12-26)14-30-33(24)17-19)18-3-4-23(27-13-18)32-9-6-25(7-10-32)5-2-8-28-25/h3-4,11,13-17,28H,2,5-10H2,1H3
InChIKeyPKOPVFVTARUVTP-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.39
Rot. Bonds3

About 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740315) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740315
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC5(CCCN5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C25H26N8/c1-31-16-21(15-29-31)19-11-22(24-20(12-26)14-30-33(24)17-19)18-3-4-23(27-13-18)32-9-6-25(7-10-32)5-2-8-28-25/h3-4,11,13-17,28H,2,5-10H2,1H3
InChIKeyPKOPVFVTARUVTP-UHFFFAOYSA-N
XLogP3.39
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740315) is 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC5(CCCN5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PKOPVFVTARUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-31-16-21(15-29-31)19-11-22(24-20(12-26)14-30-33(24)17-19)18-3-4-23(27-13-18)32-9-6-25(7-10-32)5-2-8-28-25/h3-4,11,13-17,28H,2,5-10H2,1H3.
What are the key properties of 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 438.54 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).