(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide

C17H25F3N4O2 — CID 175975058

IUPAC(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)N2CC3(CC(NCC4(C(F)(F)F)CC4)C3)C2)C1
InChIInChI=1S/C17H25F3N4O2/c18-17(19,20)16(2-3-16)8-22-12-5-15(6-12)9-24(10-15)14(26)23-4-1-11(7-23)13(21)25/h11-12,22H,1-10H2,(H2,21,25)/t11-/m0/s1
InChIKeyJKWKQVXAZIGHED-NSHDSACASA-N
MW374.41 g/mol
LogP1.31
Rot. Bonds4

About (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide

(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 175975058) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID175975058
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)N2CC3(CC(NCC4(C(F)(F)F)CC4)C3)C2)C1
InChIInChI=1S/C17H25F3N4O2/c18-17(19,20)16(2-3-16)8-22-12-5-15(6-12)9-24(10-15)14(26)23-4-1-11(7-23)13(21)25/h11-12,22H,1-10H2,(H2,21,25)/t11-/m0/s1
InChIKeyJKWKQVXAZIGHED-NSHDSACASA-N
XLogP1.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
(3S)-1-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidine-1-carbonyl]pyrrolidine-3-carboxamide
CID 175974939
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide
CID 175974847
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781
(3S)-1-[3-[4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)phenyl]azetidine-1-carbonyl]pyrrolidine-3-carboxamide
CID 175975501
(3R)-1-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 99773480
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
(3S)-1-[3-[6-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]azetidine-1-carbonyl]pyrrolidine-3-carboxamide
CID 175975119
[3-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-3-pyridinyl]azetidin-1-yl]-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166084037
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]azetidin-1-yl]methanone
CID 169104803

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide (CID 175975058) is (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(NCC4(C(F)(F)F)CC4)C3)C2)C1.
What is the InChIKey of (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is JKWKQVXAZIGHED-NSHDSACASA-N. The full InChI is InChI=1S/C17H25F3N4O2/c18-17(19,20)16(2-3-16)8-22-12-5-15(6-12)9-24(10-15)14(26)23-4-1-11(7-23)13(21)25/h11-12,22H,1-10H2,(H2,21,25)/t11-/m0/s1.
What are the key properties of (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
(3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[[1-(trifluoromethyl)cyclopropyl]methylamino]-2-azaspiro[3.3]heptane-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 175975058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).