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

C21H25Cl2N5O2 — CID 135375623

IUPACN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1
InChIInChI=1S/C21H25Cl2N5O2/c1-15(29)25(2)17-10-24-28(12-17)20(30)27-8-6-21(14-27)5-7-26(13-21)11-16-3-4-18(22)19(23)9-16/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3
InChIKeyVSGOHKFNWQABDU-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.74
Rot. Bonds3

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

N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375623) has the molecular formula C21H25Cl2N5O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375623
Molecular FormulaC21H25Cl2N5O2
Molecular Weight450.37 g/mol
Exact Mass449.14
IUPAC NameN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1
InChIInChI=1S/C21H25Cl2N5O2/c1-15(29)25(2)17-10-24-28(12-17)20(30)27-8-6-21(14-27)5-7-26(13-21)11-16-3-4-18(22)19(23)9-16/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3
InChIKeyVSGOHKFNWQABDU-UHFFFAOYSA-N
XLogP3.74
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[7-[(3,4-dichlorophenyl)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 122
CID 135375641
US10323038, Example 2
CID 135375798
US10323038, Example 161
CID 138716621
US10323038, Example 109
CID 135375446
US10323038, Example 55
CID 135375457
US10323038, Example 175
CID 135375516
US10323038, Example 194
CID 135375529
US10323038, Example 57
CID 135375543
US10323038, Example 172
CID 135375559

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375623) is N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.
What is the InChIKey of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is VSGOHKFNWQABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O2/c1-15(29)25(2)17-10-24-28(12-17)20(30)27-8-6-21(14-27)5-7-26(13-21)11-16-3-4-18(22)19(23)9-16/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3.
What are the key properties of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 450.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).