8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one

C25H26N6O — CID 135260537

IUPAC8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cnc4cccc(N5CCC6(CCNC6=O)CC5)n34)cc2)cn1
InChIInChI=1S/C25H26N6O/c1-29-17-20(15-28-29)18-5-7-19(8-6-18)21-16-27-22-3-2-4-23(31(21)22)30-13-10-25(11-14-30)9-12-26-24(25)32/h2-8,15-17H,9-14H2,1H3,(H,26,32)
InChIKeyYNDRYOREDNETNU-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.51
Rot. Bonds3

About 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 135260537) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID135260537
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cnc4cccc(N5CCC6(CCNC6=O)CC5)n34)cc2)cn1
InChIInChI=1S/C25H26N6O/c1-29-17-20(15-28-29)18-5-7-19(8-6-18)21-16-27-22-3-2-4-23(31(21)22)30-13-10-25(11-14-30)9-12-26-24(25)32/h2-8,15-17H,9-14H2,1H3,(H,26,32)
InChIKeyYNDRYOREDNETNU-UHFFFAOYSA-N
XLogP3.51
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate
CID 135240865
3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 135260458
5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
CID 135249457
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
CID 142403778
8-[2-but-3-ynyl-3-ethyl-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123558358
8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118564078
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118450446
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
ethyl 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylate
CID 135249439
7-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
CID 172585168

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 135260537) is 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one is Cn1cc(-c2ccc(-c3cnc4cccc(N5CCC6(CCNC6=O)CC5)n34)cc2)cn1.
What is the InChIKey of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YNDRYOREDNETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-29-17-20(15-28-29)18-5-7-19(8-6-18)21-16-27-22-3-2-4-23(31(21)22)30-13-10-25(11-14-30)9-12-26-24(25)32/h2-8,15-17H,9-14H2,1H3,(H,26,32).
What are the key properties of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 426.52 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 135260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).