2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

C17H25F3N4O2 — CID 131685470

IUPAC2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21
InChIInChI=1S/C17H25F3N4O2/c1-10(2)22-16(25)5-13-12-3-4-24(7-11(12)9-26-13)8-15-21-6-14(23-15)17(18,19)20/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)(H,22,25)/t11-,12-,13+/m1/s1
InChIKeyDZDPESWGYRHUFJ-UPJWGTAASA-N
MW374.41 g/mol
LogP2.18
Rot. Bonds5

About 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (PubChem CID 131685470) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
PubChem CID131685470
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21
InChIInChI=1S/C17H25F3N4O2/c1-10(2)22-16(25)5-13-12-3-4-24(7-11(12)9-26-13)8-15-21-6-14(23-15)17(18,19)20/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)(H,22,25)/t11-,12-,13+/m1/s1
InChIKeyDZDPESWGYRHUFJ-UPJWGTAASA-N
XLogP2.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

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[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
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(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 110015961
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
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[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
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CID 120800942
[(2S,3R)-3-methyloxolan-2-yl]-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
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[(2S,3R)-3-methyloxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (CID 131685470) is 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DZDPESWGYRHUFJ-UPJWGTAASA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-10(2)22-16(25)5-13-12-3-4-24(7-11(12)9-26-13)8-15-21-6-14(23-15)17(18,19)20/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)(H,22,25)/t11-,12-,13+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 374.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131685470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).