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

C18H23N5O — CID 118450419

IUPAC2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnn(-c2ccncc2N2CCC3(CCN(C)C3=O)CC2)c1
InChIInChI=1S/C18H23N5O/c1-14-11-20-23(13-14)15-3-7-19-12-16(15)22-9-5-18(6-10-22)4-8-21(2)17(18)24/h3,7,11-13H,4-6,8-10H2,1-2H3
InChIKeyITQKZEUFXVEWHQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.02
Rot. Bonds2

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

2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118450419) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118450419
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnn(-c2ccncc2N2CCC3(CCN(C)C3=O)CC2)c1
InChIInChI=1S/C18H23N5O/c1-14-11-20-23(13-14)15-3-7-19-12-16(15)22-9-5-18(6-10-22)4-8-21(2)17(18)24/h3,7,11-13H,4-6,8-10H2,1-2H3
InChIKeyITQKZEUFXVEWHQ-UHFFFAOYSA-N
XLogP2.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118450419) is 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnn(-c2ccncc2N2CCC3(CCN(C)C3=O)CC2)c1.
What is the InChIKey of 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ITQKZEUFXVEWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-11-20-23(13-14)15-3-7-19-12-16(15)22-9-5-18(6-10-22)4-8-21(2)17(18)24/h3,7,11-13H,4-6,8-10H2,1-2H3.
What are the key properties of 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).