N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

C22H26F3N5O2 — CID 135375798

IUPACN-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)c1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-10-8-21(15-29)7-9-28(14-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3
InChIKeyCTDSGCWRBUTISF-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375798) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375798
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)c1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-10-8-21(15-29)7-9-28(14-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3
InChIKeyCTDSGCWRBUTISF-UHFFFAOYSA-N
XLogP3.45
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 135375798) is N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)c1.
What is the InChIKey of N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is CTDSGCWRBUTISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-10-8-21(15-29)7-9-28(14-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[7-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).