N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

C22H28ClN5O2 — CID 135375543

IUPACN-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)C2)c1
InChIInChI=1S/C22H28ClN5O2/c1-16-18(5-4-6-20(16)23)12-26-9-7-22(14-26)8-10-27(15-22)21(30)28-13-19(11-24-28)25(3)17(2)29/h4-6,11,13H,7-10,12,14-15H2,1-3H3
InChIKeyFLLVRSVWXHVDCL-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.39
Rot. Bonds3

About N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375543) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375543
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC NameN-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)C2)c1
InChIInChI=1S/C22H28ClN5O2/c1-16-18(5-4-6-20(16)23)12-26-9-7-22(14-26)8-10-27(15-22)21(30)28-13-19(11-24-28)25(3)17(2)29/h4-6,11,13H,7-10,12,14-15H2,1-3H3
InChIKeyFLLVRSVWXHVDCL-UHFFFAOYSA-N
XLogP3.39
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

US10323038, Example 64
CID 135375499
US10323038, Example 70
CID 135375561
US10323038, Example 98
CID 135375605
US10323038, Example 182
CID 135375618
US10323038, Example 122
CID 135375641
US10323038, Example 58
CID 135375662
US10323038, Example 178
CID 135375665
US10323038, Example 180
CID 135375667
US10323038, Example 2
CID 135375798
US10323038, Example 96
CID 135375896
US10323038, Example 161
CID 138716621
US10323038, Example 109
CID 135375446

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375543) is N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)C2)c1.
What is the InChIKey of N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is FLLVRSVWXHVDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-16-18(5-4-6-20(16)23)12-26-9-7-22(14-26)8-10-27(15-22)21(30)28-13-19(11-24-28)25(3)17(2)29/h4-6,11,13H,7-10,12,14-15H2,1-3H3.
What are the key properties of N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 429.95 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[(3-chloro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).