(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C28H33N5O2 — CID 26333921

IUPAC(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)Cc2c(C)nn(-c4ccccc4)c2C)CC3)n1
InChIInChI=1S/C28H33N5O2/c1-19-8-7-9-22(30-19)18-29-27(35)25-17-28(25)12-14-32(15-13-28)26(34)16-24-20(2)31-33(21(24)3)23-10-5-4-6-11-23/h4-11,25H,12-18H2,1-3H3,(H,29,35)/t25-/m1/s1
InChIKeyHTYQJARGWALSOR-RUZDIDTESA-N
MW471.61 g/mol
LogP3.68
Rot. Bonds6

About (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26333921) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26333921
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)Cc2c(C)nn(-c4ccccc4)c2C)CC3)n1
InChIInChI=1S/C28H33N5O2/c1-19-8-7-9-22(30-19)18-29-27(35)25-17-28(25)12-14-32(15-13-28)26(34)16-24-20(2)31-33(21(24)3)23-10-5-4-6-11-23/h4-11,25H,12-18H2,1-3H3,(H,29,35)/t25-/m1/s1
InChIKeyHTYQJARGWALSOR-RUZDIDTESA-N
XLogP3.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-[3-(4-methylphenyl)propanoyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42165697
6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45241253
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
N-[(6-methyl-2-pyridinyl)methyl]-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126465502
(3R,4S)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 162630707
(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42212645
N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 118757221
(3S)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698663
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467319
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 26333921) is (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)Cc2c(C)nn(-c4ccccc4)c2C)CC3)n1.
What is the InChIKey of (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HTYQJARGWALSOR-RUZDIDTESA-N. The full InChI is InChI=1S/C28H33N5O2/c1-19-8-7-9-22(30-19)18-29-27(35)25-17-28(25)12-14-32(15-13-28)26(34)16-24-20(2)31-33(21(24)3)23-10-5-4-6-11-23/h4-11,25H,12-18H2,1-3H3,(H,29,35)/t25-/m1/s1.
What are the key properties of (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26333921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).