N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

C26H33F3N6O3 — CID 135375913

IUPACN-methyl-N-[1-[7-[[3-morpholin-4-yl-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)c(N5CCOCC5)c4)C3)C2)c1
InChIInChI=1S/C26H33F3N6O3/c1-19(36)31(2)21-14-30-35(16-21)24(37)34-8-6-25(18-34)5-7-32(17-25)15-20-3-4-22(26(27,28)29)23(13-20)33-9-11-38-12-10-33/h3-4,13-14,16H,5-12,15,17-18H2,1-2H3
InChIKeyYKSAWMJQKACYOP-UHFFFAOYSA-N
MW534.58 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375913) has the molecular formula C26H33F3N6O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375913
Molecular FormulaC26H33F3N6O3
Molecular Weight534.58 g/mol
Exact Mass534.26
IUPAC NameN-methyl-N-[1-[7-[[3-morpholin-4-yl-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)c(N5CCOCC5)c4)C3)C2)c1
InChIInChI=1S/C26H33F3N6O3/c1-19(36)31(2)21-14-30-35(16-21)24(37)34-8-6-25(18-34)5-7-32(17-25)15-20-3-4-22(26(27,28)29)23(13-20)33-9-11-38-12-10-33/h3-4,13-14,16H,5-12,15,17-18H2,1-2H3
InChIKeyYKSAWMJQKACYOP-UHFFFAOYSA-N
XLogP3.29
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide with MolForge

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Related Compounds

US10323038, Example 64
CID 135375499
US10323038, Example 14
CID 135375500
US10323038, Example 191
CID 135375584
US10323038, Example 198
CID 135375596
US10323038, Example 195
CID 135375597
US10323038, Example 26
CID 135375656
US10323038, Example 58
CID 135375662
US10323038, Example 130
CID 135375773
US10323038, Example 2
CID 135375798
US10323038, Example 114
CID 135375805
US10323038, Example 218
CID 135375837
US10323038, Example 131
CID 135375885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[7-[[3-morpholin-4-yl-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-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 135375913) is N-methyl-N-[1-[7-[[3-morpholin-4-yl-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-[[3-morpholin-4-yl-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-[[3-morpholin-4-yl-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)c(N5CCOCC5)c4)C3)C2)c1.
What is the InChIKey of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is YKSAWMJQKACYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c1-19(36)31(2)21-14-30-35(16-21)24(37)34-8-6-25(18-34)5-7-32(17-25)15-20-3-4-22(26(27,28)29)23(13-20)33-9-11-38-12-10-33/h3-4,13-14,16H,5-12,15,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 534.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).