N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

C26H36FN5O2 — CID 124946929

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O
InChIInChI=1S/C26H36FN5O2/c1-17(2)15-32-22(13-20-5-7-21(27)8-6-20)14-26(25(32)34)9-11-31(12-10-26)16-23(33)28-24-18(3)29-30-19(24)4/h5-8,17,22H,9-16H2,1-4H3,(H,28,33)(H,29,30)/t22-/m1/s1
InChIKeyCBYWCLFVRBMNOM-JOCHJYFZSA-N
MW469.61 g/mol
LogP3.69
Rot. Bonds7

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 124946929) has the molecular formula C26H36FN5O2 and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
PubChem CID124946929
Molecular FormulaC26H36FN5O2
Molecular Weight469.61 g/mol
Exact Mass469.29
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O
InChIInChI=1S/C26H36FN5O2/c1-17(2)15-32-22(13-20-5-7-21(27)8-6-20)14-26(25(32)34)9-11-31(12-10-26)16-23(33)28-24-18(3)29-30-19(24)4/h5-8,17,22H,9-16H2,1-4H3,(H,28,33)(H,29,30)/t22-/m1/s1
InChIKeyCBYWCLFVRBMNOM-JOCHJYFZSA-N
XLogP3.69
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 129459645
3-[(4-fluorophenyl)methyl]-8-(2-methylprop-2-enoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175655038
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175662858
(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124945388
2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 124948028
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63310116
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CID 116683852
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79612221
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 86847428
2-[(4R,5S)-4-(3,4-difluorophenyl)-7-oxo-2,6-diazaspiro[4.5]decan-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110152411
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
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CID 71988957

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 124946929) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is CBYWCLFVRBMNOM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H36FN5O2/c1-17(2)15-32-22(13-20-5-7-21(27)8-6-20)14-26(25(32)34)9-11-31(12-10-26)16-23(33)28-24-18(3)29-30-19(24)4/h5-8,17,22H,9-16H2,1-4H3,(H,28,33)(H,29,30)/t22-/m1/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 124946929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).