[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

C26H30N4O — CID 126440960

IUPAC[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C26H30N4O/c31-25(23-18-27-28-24(23)22-10-5-2-6-11-22)30-17-14-26(20-30)13-7-15-29(19-26)16-12-21-8-3-1-4-9-21/h1-6,8-11,18H,7,12-17,19-20H2,(H,27,28)/t26-/m1/s1
InChIKeyYSBCQSHPPJFRAO-AREMUKBSSA-N
MW414.55 g/mol
LogP4.25
Rot. Bonds5

About [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 126440960) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID126440960
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C26H30N4O/c31-25(23-18-27-28-24(23)22-10-5-2-6-11-22)30-17-14-26(20-30)13-7-15-29(19-26)16-12-21-8-3-1-4-9-21/h1-6,8-11,18H,7,12-17,19-20H2,(H,27,28)/t26-/m1/s1
InChIKeyYSBCQSHPPJFRAO-AREMUKBSSA-N
XLogP4.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone with MolForge

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Related Compounds

phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
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(4-fluorophenyl)(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazino)methanone
CID 2812424
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CID 8107007
1-(3-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}propyl)piperidine-3-carboxamide
CID 16191459
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one
CID 44522118
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CID 135517068
(E)-N-(2-oxo-2-(2-((3-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)ethyl)benzamide
CID 135425046
4-[1-[4-methyl-3-(5-methyl-1H-pyrazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90030323
4-[1-[4-Methyl-3-(4-methyl-1H-pyrazol-3-yl)benzoyl]-4-piperidinyl]benzonitrile
CID 90033602
4-[1-[2,4-dimethyl-5-(4-methyl-1H-pyrazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90066662
(4-fluorophenyl){1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}methanone
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Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 126440960) is [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is YSBCQSHPPJFRAO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O/c31-25(23-18-27-28-24(23)22-10-5-2-6-11-22)30-17-14-26(20-30)13-7-15-29(19-26)16-12-21-8-3-1-4-9-21/h1-6,8-11,18H,7,12-17,19-20H2,(H,27,28)/t26-/m1/s1.
What are the key properties of [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 414.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126440960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).