8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C17H21N5O — CID 118450446

IUPAC8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnn(-c2ccncc2N2CCC3(CCNC3=O)CC2)c1
InChIInChI=1S/C17H21N5O/c1-13-10-20-22(12-13)14-2-6-18-11-15(14)21-8-4-17(5-9-21)3-7-19-16(17)23/h2,6,10-12H,3-5,7-9H2,1H3,(H,19,23)
InChIKeyMXVFKKWFPYOPOJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.68
Rot. Bonds2

About 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118450446) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118450446
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnn(-c2ccncc2N2CCC3(CCNC3=O)CC2)c1
InChIInChI=1S/C17H21N5O/c1-13-10-20-22(12-13)14-2-6-18-11-15(14)21-8-4-17(5-9-21)3-7-19-16(17)23/h2,6,10-12H,3-5,7-9H2,1H3,(H,19,23)
InChIKeyMXVFKKWFPYOPOJ-UHFFFAOYSA-N
XLogP1.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118450446) is 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnn(-c2ccncc2N2CCC3(CCNC3=O)CC2)c1.
What is the InChIKey of 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MXVFKKWFPYOPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-10-20-22(12-13)14-2-6-18-11-15(14)21-8-4-17(5-9-21)3-7-19-16(17)23/h2,6,10-12H,3-5,7-9H2,1H3,(H,19,23).
What are the key properties of 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 311.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118450446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).