4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H30N8 — CID 126739996

IUPAC4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)CC1
InChIInChI=1S/C27H30N8/c1-32-10-7-27(8-11-32)6-3-9-34(19-27)25-5-4-20(14-29-25)24-12-21(23-16-30-33(2)17-23)18-35-26(24)22(13-28)15-31-35/h4-5,12,14-18H,3,6-11,19H2,1-2H3
InChIKeyCVKGLPPAABROFK-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.98
Rot. Bonds3

About 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126739996) has the molecular formula C27H30N8 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126739996
Molecular FormulaC27H30N8
Molecular Weight466.59 g/mol
Exact Mass466.26
IUPAC Name4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)CC1
InChIInChI=1S/C27H30N8/c1-32-10-7-27(8-11-32)6-3-9-34(19-27)25-5-4-20(14-29-25)24-12-21(23-16-30-33(2)17-23)18-35-26(24)22(13-28)15-31-35/h4-5,12,14-18H,3,6-11,19H2,1-2H3
InChIKeyCVKGLPPAABROFK-UHFFFAOYSA-N
XLogP3.98
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126739996) is 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)CC1.
What is the InChIKey of 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CVKGLPPAABROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8/c1-32-10-7-27(8-11-32)6-3-9-34(19-27)25-5-4-20(14-29-25)24-12-21(23-16-30-33(2)17-23)18-35-26(24)22(13-28)15-31-35/h4-5,12,14-18H,3,6-11,19H2,1-2H3.
What are the key properties of 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 466.59 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126739996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).