6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C26H29N5O2 — CID 155881492

IUPAC6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CC(C(=O)NCc4ccccn4)C4(CCC4)C3)[nH]n2)cc1C
InChIInChI=1S/C26H29N5O2/c1-17-7-8-19(12-18(17)2)22-13-23(30-29-22)25(33)31-15-21(26(16-31)9-5-10-26)24(32)28-14-20-6-3-4-11-27-20/h3-4,6-8,11-13,21H,5,9-10,14-16H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyZCNICBSXVZFANQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.65
Rot. Bonds5

About 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 155881492) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID155881492
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CC(C(=O)NCc4ccccn4)C4(CCC4)C3)[nH]n2)cc1C
InChIInChI=1S/C26H29N5O2/c1-17-7-8-19(12-18(17)2)22-13-23(30-29-22)25(33)31-15-21(26(16-31)9-5-10-26)24(32)28-14-20-6-3-4-11-27-20/h3-4,6-8,11-13,21H,5,9-10,14-16H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyZCNICBSXVZFANQ-UHFFFAOYSA-N
XLogP3.65
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 155881305
6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579484
6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
CID 155880870
6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579463
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918352
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842100
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 100634778
(4-cyclopentylpiperazin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918366
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164689714

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 155881492) is 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is Cc1ccc(-c2cc(C(=O)N3CC(C(=O)NCc4ccccn4)C4(CCC4)C3)[nH]n2)cc1C.
What is the InChIKey of 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is ZCNICBSXVZFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17-7-8-19(12-18(17)2)22-13-23(30-29-22)25(33)31-15-21(26(16-31)9-5-10-26)24(32)28-14-20-6-3-4-11-27-20/h3-4,6-8,11-13,21H,5,9-10,14-16H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 155881492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).