3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one

C26H31FN6O2 — CID 155111673

IUPAC3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(C)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C26H31FN6O2/c1-4-23-22(19-14-28-29-15-19)5-6-24(30-23)32-17-26(7-9-31(2)10-8-26)33(25(32)34)16-18-11-20(27)13-21(12-18)35-3/h5-6,11-15H,4,7-10,16-17H2,1-3H3,(H,28,29)
InChIKeyJJSGPDRMFLUUGV-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.09
Rot. Bonds6

About 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one

3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155111673) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID155111673
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(C)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C26H31FN6O2/c1-4-23-22(19-14-28-29-15-19)5-6-24(30-23)32-17-26(7-9-31(2)10-8-26)33(25(32)34)16-18-11-20(27)13-21(12-18)35-3/h5-6,11-15H,4,7-10,16-17H2,1-3H3,(H,28,29)
InChIKeyJJSGPDRMFLUUGV-UHFFFAOYSA-N
XLogP4.09
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 155111673) is 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one is CCc1nc(N2CC3(CCN(C)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is JJSGPDRMFLUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-4-23-22(19-14-28-29-15-19)5-6-24(30-23)32-17-26(7-9-31(2)10-8-26)33(25(32)34)16-18-11-20(27)13-21(12-18)35-3/h5-6,11-15H,4,7-10,16-17H2,1-3H3,(H,28,29).
What are the key properties of 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 478.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155111673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).