(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H35N5O2 — CID 164638709

IUPAC(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1ncc(CN2CCC3(CC2)C[C@@H](C(=O)NC2CCCC2)N(C)C3=O)c1C
InChIInChI=1S/C22H35N5O2/c1-4-27-16(2)17(14-23-27)15-26-11-9-22(10-12-26)13-19(25(3)21(22)29)20(28)24-18-7-5-6-8-18/h14,18-19H,4-13,15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyRYBYRNBRVDLMLW-IBGZPJMESA-N
MW401.56 g/mol
LogP2.08
Rot. Bonds5

About (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 164638709) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID164638709
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1ncc(CN2CCC3(CC2)C[C@@H](C(=O)NC2CCCC2)N(C)C3=O)c1C
InChIInChI=1S/C22H35N5O2/c1-4-27-16(2)17(14-23-27)15-26-11-9-22(10-12-26)13-19(25(3)21(22)29)20(28)24-18-7-5-6-8-18/h14,18-19H,4-13,15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyRYBYRNBRVDLMLW-IBGZPJMESA-N
XLogP2.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
8-methyl-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908764
N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
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1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
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(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199320
(1S,11R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199321
2'-Ethyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-YL)methyl]dihydro-1'H-spiro[piperidine-4,6'-pyrrolo[1,2-C]imidazole]-1',3'(2'H)-dione
CID 124045293
[8-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124075214
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 119065114
(2S,5R)-N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167522634
(1R,2S,5S)-N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175899355

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 164638709) is (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide is CCn1ncc(CN2CCC3(CC2)C[C@@H](C(=O)NC2CCCC2)N(C)C3=O)c1C.
What is the InChIKey of (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RYBYRNBRVDLMLW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H35N5O2/c1-4-27-16(2)17(14-23-27)15-26-11-9-22(10-12-26)13-19(25(3)21(22)29)20(28)24-18-7-5-6-8-18/h14,18-19H,4-13,15H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 164638709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).