1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide

C16H18FN7O2 — CID 167972623

IUPAC1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide
SMILESCn1nncc1C(=O)N1CC2(CC(NC(=O)C3(F)CC3)c3nccn32)C1
InChIInChI=1S/C16H18FN7O2/c1-22-11(7-19-21-22)13(25)23-8-15(9-23)6-10(12-18-4-5-24(12)15)20-14(26)16(17)2-3-16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,20,26)
InChIKeyIIGSREKPIVUBGF-UHFFFAOYSA-N
MW359.37 g/mol
LogP-0.07
Rot. Bonds3

About 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide

1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide (PubChem CID 167972623) has the molecular formula C16H18FN7O2 and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide
PubChem CID167972623
Molecular FormulaC16H18FN7O2
Molecular Weight359.37 g/mol
Exact Mass359.15
IUPAC Name1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide
SMILESCn1nncc1C(=O)N1CC2(CC(NC(=O)C3(F)CC3)c3nccn32)C1
InChIInChI=1S/C16H18FN7O2/c1-22-11(7-19-21-22)13(25)23-8-15(9-23)6-10(12-18-4-5-24(12)15)20-14(26)16(17)2-3-16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,20,26)
InChIKeyIIGSREKPIVUBGF-UHFFFAOYSA-N
XLogP-0.07
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide (CID 167972623) is 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide is Cn1nncc1C(=O)N1CC2(CC(NC(=O)C3(F)CC3)c3nccn32)C1.
What is the InChIKey of 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide?
The InChIKey is IIGSREKPIVUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7O2/c1-22-11(7-19-21-22)13(25)23-8-15(9-23)6-10(12-18-4-5-24(12)15)20-14(26)16(17)2-3-16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,20,26).
What are the key properties of 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide has a molecular weight of 359.37 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167972623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).