(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C14H15FN4O2 — CID 137412416

IUPAC(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCON(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F
InChIInChI=1S/C14H15FN4O2/c1-18(21-2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyIWJCFZFZUVJTHQ-GHMZBOCLSA-N
MW290.30 g/mol
LogP1.92
Rot. Bonds3

About (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 137412416) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID137412416
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCON(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F
InChIInChI=1S/C14H15FN4O2/c1-18(21-2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyIWJCFZFZUVJTHQ-GHMZBOCLSA-N
XLogP1.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide with MolForge

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Related Compounds

Flizasertib
CID 137408242
US11071721, Example 54
CID 134563827
US11071721, Example 79
CID 134563834
US11071721, Example 1
CID 134563836
Method #16
CID 134563838
US11607396, Example 86
CID 134563842
US11071721, Example 24
CID 134563843
US11071721, Example 84
CID 134563858
US11071721, Example 104
CID 134563866
US11071721, Example 22
CID 134563871
US11071721, Example 20
CID 134563872
US11071721, Example 70
CID 134563880

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 137412416) is (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is CON(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F.
What is the InChIKey of (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is IWJCFZFZUVJTHQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18(21-2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
(5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-fluoro-N-methoxy-N-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 137412416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).